Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4047070 | 0.94 | ALDH1A1 (0.42) | ALDH1A1CYP2D6OPRL1TSHR | |
| SCHEMBL4040495 | 0.77 | SIGMAR1 (0.35) | ALDH1A1CYP2D6OPRL1TSHR | |
| SCHEMBL4047002 | 0.71 | EPHX1 (0.42) | BCAT2EPHX1 | |
| SCHEMBL5217322 | 0.71 | CETP (0.36) | ALDH1A1 | |
| SCHEMBL4044904 | 0.70 | EPHX1 (0.51) | BCAT2EPHX1 | |
| SCHEMBL4068616 | 0.70 | CCR1 (0.35) | ALDH1A1CYP2D6SPHK1MMP2TSHR | |
| SCHEMBL5223122 | 0.70 | CETP (0.38) | ALDH1A1 | |
| SCHEMBL4041830 | 0.69 | METAP2 (0.41) | ALDH1A1CYP2D6MMP2TSHRMETAP2 | |
| SCHEMBL4067460 | 0.69 | CCR1 (0.37) | ALDH1A1CYP2D6MMP2TSHRTOP1 | |
| SCHEMBL2675153 | 0.69 | CCR1 (0.37) | ALDH1A1CYP2D6MMP2TSHRTOP1 |
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-1819676-A4 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1819676-A2 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006060344-A2 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-08 | — | — | WO | disclosed |