Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7581843 | 0.86 | PPARG (0.49) | TACR1TSPOKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7575218 | 0.84 | MTNR1A (0.47) | TACR1EGFRTSPOSRCKDM4E | |
| SCHEMBL7790369 | 0.81 | CXCR2 (0.52) | TACR1EGFRTSPOSRCKDM4E | |
| SCHEMBL7657110 | 0.81 | HTR6 (0.48) | TACR1EGFRTSPOSRCCYP11B1 | |
| SCHEMBL7798973 | 0.79 | TACR1 (0.48) | TACR1EGFRTSPOSRCKDM4E | |
| SCHEMBL7238513 | 0.79 | TSPO (0.56) | TACR1TSPOKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7572347 | 0.78 | MTNR1A (0.46) | TACR1EGFRTSPOSRCKDM4E | |
| SCHEMBL7233182 | 0.77 | TACR1 (0.50) | TACR1EGFRTSPOSRCKDM4E | |
| SCHEMBL6805872 | 0.76 | TSPO (0.47) | TACR1TSPOKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7658708 | 0.75 | TACR1 (0.58) | TACR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6476045-B2 | INDOLE AND AZAINDOLE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS, AND IN PARTICULAR AS NEUROKININ-1 RECEPTOR ANTAGONIST | MERCK SHARP & DOHME LTD. (GB) | 2002-11-05 | — | — | US | disclosed |