Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 9/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31335373 | 0.82 | MAPT (0.51) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL16052717 | 0.82 | MAPT (0.51) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL16052718 | 0.82 | MAPT (0.51) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL949608 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL8893592 | 0.79 | HSP90AA1 (0.56) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL490330 | 0.77 | ALDH1A1 (0.62) | ALDH1A1MAPTL3MBTL1KDM4ERAB9A | |
| SCHEMBL5248678 | 0.71 | CYP2A6 (0.57) | ALDH1A1MAPTLMNAKDM4ERAB9A | |
| SCHEMBL28028383 | 0.71 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNAL3MBTL1KDM4E | |
| SCHEMBL7441695 | 0.67 | G6PD (0.54) | ALDH1A1MAPTLMNARAB9ANPC1 | |
| SCHEMBL37113 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2014-09-11 | — | — | US | disclosed |
| US-8772336-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2014-07-08 | — | — | US | disclosed |
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | AXYS PHARMACEUTICALS, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-8318748-B2 | Cathepsin cysteine protease inhibitors | Merck, Sharp & Dohme Corp. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2011-09-22 | — | — | US | disclosed |
| US-7973037-B2 | Cathepsin cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2008-08-07 | — | — | US | disclosed |
| US-7375134-B2 | 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 | AXYS PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | 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 |
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 | ALDH1A1 3969/4885MAPT 3824/4885LMNA 1888/4885 |
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | ALDH1A1 4582/4885MAPT 3191/4885LMNA 2431/4885 |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | ALDH1A1 4582/4885MAPT 3191/4885LMNA 2431/4885 |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | CTSE, CTSL, CTSK | ALDH1A1 4285/4885MAPT 2751/4885LMNA 273/4885 |
| 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 | ALDH1A1 3683/4885MAPT 3733/4885LMNA 293/4885 |
“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.