Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MMP2 | P08253 | 13/20 | 0.63 |
| ▸ | MMP9 | P14780 | 12/20 | 0.63 |
| ▸ | MMP8 | P22894 | 3/20 | 0.63 |
| ▸ | MMP12 | P39900 | 2/20 | 0.63 |
| ▸ | MMP14 | P50281 | 2/20 | 0.63 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.62 |
| ▸ | MMP7 | P09237 | 1/20 | 0.62 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8707457 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19MMP2 | |
| SCHEMBL8146180 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19MMP2 | |
| SCHEMBL8839562 | 0.90 | MMP2 (0.70) | ALDH1A1MMP2MMP9MMP8MMP12 | |
| SCHEMBL8839772 | 0.90 | MMP2 (0.70) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL8839774 | 0.90 | MMP2 (0.70) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL8839555 | 0.90 | MMP2 (0.70) | ALDH1A1MMP2MMP9MMP8MMP12 | |
| SCHEMBL14602243 | 0.87 | MMP2 (0.77) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL7300504 | 0.85 | MMP7 (0.64) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL7906607 | 0.84 | MMP9 (0.78) | MMP2MMP9MMP8MMP12MMP14 | |
| SCHEMBL697591 | 0.84 | MMP2 (0.85) | ALDH1A1MMP2MMP9ADAMTS4MMP7 |
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-6030946-A | FUNCTIONS REVERSIBLY, RESULTING IN TIGHT BINDING (LOW DISSOCIATION CONSTANTS) BETWEEN INHIBITOR AND TARGET ENZYME; USED TO TREAT VARIETY OF DISEAES, INCLUDING ARTHRITIS, MUSCULAR DYSTROPHY, INFLAMMATION, TUMOR INVASION, MALERIA | AXYS PHARMACEUTICALS, INC. (US) | 2000-02-29 | — | — | US | disclosed |
| EP-0832099-A1 | REVERSIBLE CYSTEINE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040737-A1 | REVERSIBLE CYSTEINE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |