Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6240903 | 0.97 | — | — | |
| SCHEMBL12267875 | 0.92 | — | — | |
| SCHEMBL2046604 | 0.86 | — | — | |
| SCHEMBL21872364 | 0.79 | CYP1A2 (0.37) | CYP1A2SIGMAR1CHRM5ADRA2CCHRM2 | |
| SCHEMBL26077312 | 0.79 | CYP1A2 (0.37) | CYP1A2SIGMAR1CHRM5ADRA2CCHRM2 | |
| SCHEMBL18028798 | 0.79 | CYP1A2 (0.37) | CYP1A2SIGMAR1CHRM5ADRA2CCHRM2 | |
| SCHEMBL31112383 | 0.78 | CYP1A2 (0.40) | CYP1A2SIGMAR1SHBGACHECHRM5 | |
| SCHEMBL22674513 | 0.75 | CYP1A2 (0.39) | CYP1A2SIGMAR1SHBGACHECHRM5 | |
| SCHEMBL21865930 | 0.75 | GNAO1 (0.36) | NOS2 | |
| SCHEMBL14022387 | 0.75 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | US | claimed |
| EP-3180344-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE | PFIZER (US) | 2019-09-18 | — | — | EP | disclosed |
| US-8927458-B2 | Herbicide triazolylpyridine ketones | BAYER CROPSCIENCE AG (DE) | 2015-01-06 | — | — | US | disclosed |
| US-8927458-B2 | Herbicide triazolylpyridine ketones | BAYER CROPSCIENCE AG (DE) | 2015-01-06 | — | — | US | disclosed |
| US-8658798-B2 | Herbicide triazolylpyridine ketones | BAYER CROPSCIENCE AG (DE) | 2014-02-25 | — | — | US | disclosed |
| US-8658798-B2 | Herbicide triazolylpyridine ketones | BAYER CROPSCIENCE AG (DE) | 2014-02-25 | — | — | US | disclosed |
| US-20130296168-A1 | HERBICIDE TRIAZOLYLPYRIDINE KETONES | BAYER CROPSCIENCE AG (DE) | 2013-11-07 | — | — | US | disclosed |
| US-20110237800-A1 | HERBICIDE TRIAZOLYLPYRIDINE KETONES | BAYER CROPSCIENCE AG (DE) | 2011-09-29 | — | — | US | disclosed |
| US-20110237800-A1 | HERBICIDE TRIAZOLYLPYRIDINE KETONES | BAYER CROPSCIENCE AG (DE) | 2011-09-29 | — | — | US | disclosed |
| US-7737300-B2 | Processes and intermediates preparing cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-06-15 | — | — | US | disclosed |
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1799645-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006034004-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-03-30 | — | — | WO | disclosed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | US | disclosed |
| US-5574174-A | 1,3-2,4-DI/SUBSTITUTED ARYLIDENE/-D-SORBITOLS, WHERE SUBSTITUTED ARYLIDENE MAY INCLUDE OPTIONALLY SUBSTITUTED THIOPHENYLIDENE | MONTELL NORTH AMERICA INC. (US) | 1996-11-12 | — | — | US | disclosed |
| US-5470898-A | Sorbitol derivatives as nucleators and clarifiers for polyolefins, and polyolefin compositions obtained therewith | MONTELL NORTH AMERICA INC. (US) | 1995-11-28 | — | — | US | disclosed |
| EP-0632091-A2 | Sorbitol derivatives as nucleators and clarifiers for polyolefins, and polyolefin compositions obtained therewith | MONTELL NORTH AMERICA INC. (US) | 1995-01-04 | — | — | EP | 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 (4 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-20130296168-A1 | HERBICIDE TRIAZOLYLPYRIDINE KETONES | DDT, PDK4, BCKDK | CYP1A2 54/4885SIGMAR1 1417/4885SHBG 3125/4885 |
| US-20110237800-A1 | HERBICIDE TRIAZOLYLPYRIDINE KETONES | DDT, PDK4, BCKDK | CYP1A2 68/4885SIGMAR1 1643/4885SHBG 3005/4885 |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | CTSF, CTSS, CTSE | CYP1A2 3567/4885SIGMAR1 4085/4885SHBG 4432/4885 |
| US-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | SPINT2, PREP, CPN1 | CYP1A2 3251/4885SIGMAR1 4524/4885SHBG 1772/4885 |
“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.