Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.71 |
| ▸ | MMP2 | P08253 | 5/20 | 0.60 |
| ▸ | MMP9 | P14780 | 5/20 | 0.60 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | 0.90 | MMP2 (0.69) | TACR1MMP2MMP9KCNA5KCNH2 | |
| SCHEMBL7878205 | 0.90 | MMP2 (0.69) | TACR1MMP2MMP9KCNA5KCNH2 | |
| SCHEMBL9267780 | 0.89 | TACR1 (0.75) | TACR1 | |
| SCHEMBL7894567 | 0.87 | MMP9 (0.66) | TACR1MMP2MMP9KCNA5 | |
| SCHEMBL7583642 | 0.84 | MMP9 (0.70) | TACR1MMP2MMP9KCNA5 | |
| L-708568 SCHEMBL8459442 | 0.83 | TACR1 (1.00) | TACR1 | |
| SCHEMBL9261932 | 0.83 | TACR1 (1.00) | TACR1 | |
| SCHEMBL9266038 | 0.82 | TACR1 (0.83) | TACR1 | |
| SCHEMBL9257911 | 0.82 | TACR1 (1.00) | TACR1 | |
| SCHEMBL28340488 | 0.82 | KCNA5 (0.78) | MMP2MMP9KCNA5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | claimed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | claimed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | 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 |