Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8651942 | 0.86 | ALDH1A1 (0.61) | CYP3A4CA1CA2POLBMAPK1 | |
| SCHEMBL8632332 | 0.81 | ALDH1A1 (0.63) | CYP3A4TSHRPOLBMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL9638760 | 0.81 | SMPD1 (0.64) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12682342 | 0.80 | MAPT (0.71) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4151619 | 0.79 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1436474 | 0.79 | SMPD1 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL9638417 | 0.78 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL11665996 | 0.77 | CA1 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL2446906 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL6500203 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | disclosed |