Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | FCER2 | P06734 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4671067 | 0.81 | MAOA (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19EGFR | |
| Hydrochloric Acid SCHEMBL4671065 | 0.81 | MAOA (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19EGFR | |
| SCHEMBL7310561 | 0.79 | MMP2 (0.56) | MMP2MMP9CYP1A2MMP1FCER2 | |
| SCHEMBL23486817 | 0.76 | SLC7A5 (0.54) | MMP2ANPEP | |
| SCHEMBL23176795 | 0.76 | CTSS (0.44) | ANPEP | |
| SCHEMBL7308337 | 0.76 | MMP9 (0.55) | MMP2MMP9PPARAMMP1FCER2 | |
| SCHEMBL27463626 | 0.76 | CYP1A2 (0.40) | CYP1A2MMEACE | |
| SCHEMBL4673130 | 0.75 | MMP13 (0.49) | PPARAMTNR1AMTNR1BPPARGACE | |
| SCHEMBL27463627 | 0.75 | CTSC (0.48) | CYP3A4CYP2C19 | |
| SCHEMBL4673137 | 0.75 | MMP13 (0.49) | PPARAMTNR1AMTNR1BPPARGACE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5932595-A | ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT | SYNTEX (U.S.A.) INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |