Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.53 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.53 |
| ▸ | ITGAV | P06756 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.53 |
| ▸ | ITGAL | P20701 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.42 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16045376 | 1.00 | ITGB1 (0.53) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL6604597 | 1.00 | ITGB1 (0.53) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL17966413 | 0.85 | ITGB1 (0.37) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL17966411 | 0.85 | ITGB1 (0.37) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL19628798 | 0.82 | IRAK4 (0.35) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL25255171 | 0.81 | HTT (0.38) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL25254019 | 0.81 | HTT (0.38) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL25291800 | 0.81 | HTT (0.38) | ITGB1ITGA5ITGB3ITGB2ITGAV | |
| SCHEMBL5671846 | 0.77 | KMT2A (0.34) | IRAK4GAACACNA1CSCN5AKCNH2 | |
| SCHEMBL2155526 | 0.77 | KMT2A (0.34) | IRAK4GAACACNA1CSCN5AKCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2675440-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-03-25 | — | — | EP | disclosed |
| EP-1694647-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2016-11-09 | — | — | EP | disclosed |
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2014-09-11 | — | — | US | disclosed |
| US-8791162-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-07-29 | — | — | US | disclosed |
| US-8772336-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2014-07-08 | — | — | US | disclosed |
| EP-1673336-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2014-06-04 | — | — | EP | disclosed |
| US-20130324610-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-12-05 | — | — | US | disclosed |
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | AXYS PHARMACEUTICALS, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| EP-1817276-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2012-08-08 | — | — | EP | disclosed |
| US-7687524-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2010-03-30 | — | — | US | disclosed |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2005-10-27 | — | — | US | disclosed |
| WO-2005056529-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2005-06-23 | — | — | WO | disclosed |
| WO-2005021487-A1 | CATHEPSIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2005-03-10 | — | — | WO | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| EP-1019400-B1 | BENZO(5,6)CYCLOHEPTAPYRIDINE COMPOUNDS USEFUL AS FARNESYL PROTEIN TRANSFERASE INHIBITORS | SCHERING CORP (US) | 2004-08-11 | — | — | EP | disclosed |
| US-20030232863-A1 | Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders | BAYLY CHRISTOPHER I (CA) | 2003-12-18 | — | — | US | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |
| EP-1019400-A1 | BENZO(5,6)CYCLOHEPTAPYRIDINE COMPOUNDS USEFUL AS FARNESYL PROTEIN TRANSFERASE INHIBITORS | SCHERING CORPORATION (US) | 2000-07-19 | — | — | EP | disclosed |
| US-5939416-A | INHIBIT RAS FUNCTION, USE FOR TREATING TUMOR CELLS EXPRESSING AN ACTIVATED RAS ONCOGENE IN MAMMALS | SCHERING CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| WO-1998057970-A1 | BENZO(5,6)CYCLOHEPTAPYRIDINE COMPOUNDS USEFUL AS FARNESYL PROTEIN TRANSFERASE INHIBITORS | SCHERING CORPORATION (US) | 1998-12-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | CTSB, CTSS, CTSZ | ITGB1 2459/4885ITGA5 3746/4885ITGB3 3186/4885 |
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | ITGB1 3298/4885ITGA5 4361/4885ITGB3 3830/4885 |
| US-20030232863-A1 | Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders | CTSE, CTSB, CTSS | ITGB1 732/4885ITGA5 3543/4885ITGB3 2574/4885 |
| US-20130324610-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSZ, CTSD, CTSS | ITGB1 4237/4885ITGA5 4538/4885ITGB3 3782/4885 |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | CTSE, CTSS, CTSB | ITGB1 855/4885ITGA5 3694/4885ITGB3 2743/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.