Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 9/20 | 0.69 |
| ▸ | MMP9 | P14780 | 9/20 | 0.69 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | TACR1 | P25103 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL29883928 | 1.00 | MMP2 (0.69) | MMP2MMP9KCNA5NR3C1GAA | |
| SCHEMBL7894567 | 0.95 | MMP9 (0.66) | MMP2MMP9KCNA5NR3C1GAA | |
| SCHEMBL7583642 | 0.92 | MMP9 (0.70) | MMP2MMP9KCNA5TACR1 | |
| SCHEMBL9262155 | 0.90 | TACR1 (0.71) | MMP2MMP9KCNA5KCNH2TACR1 | |
| SCHEMBL28340488 | 0.89 | KCNA5 (0.78) | MMP2MMP9KCNA5NR3C1KCNH2 | |
| SCHEMBL3154749 | 0.87 | MMP9 (0.88) | MMP2MMP9KCNA5NR3C1 | |
| SCHEMBL3154764 | 0.87 | MMP9 (0.88) | MMP2MMP9KCNA5NR3C1 | |
| SCHEMBL7673655 | 0.86 | MMP9 (0.78) | MMP2MMP9KCNA5TACR1 | |
| SCHEMBL7667544 | 0.86 | MMP9 (0.78) | MMP2MMP9KCNA5TACR1 | |
| SCHEMBL8448255 | 0.84 | MMP9 (0.82) | MMP2MMP9KCNA5NR3C1KCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | claimed |
| US-6329394-B1 | 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. | GLAXO GROUP LIMITED (GB) | 2001-12-11 | — | — | US | disclosed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | disclosed |
| EP-0615751-A1 | Use of tachykinin antagonists in the treatment of emesis | GLAXO GROUP LIMITED (GB) | 1994-09-21 | — | — | EP | disclosed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |