Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5170942 | 0.77 | OPRM1 (0.40) | OPRM1SIGMAR1CA1CA2CA12 | |
| SCHEMBL6909324 | 0.77 | PTGS2 (0.41) | KDM4EALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL7531399 | 0.72 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6918126 | 0.72 | ESR1 (0.38) | OPRM1CA1CA2CA12CA7 | |
| SCHEMBL6905571 | 0.72 | OPRM1 (0.44) | OPRM1SIGMAR1CA1CA2CA12 | |
| SCHEMBL11565235 | 0.72 | GAA (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6907408 | 0.71 | ALDH1A1 (0.49) | OPRM1CA2CA12CA9CA14 | |
| SCHEMBL6907834 | 0.70 | OPRM1 (0.48) | OPRM1SIGMAR1CA1CA2MAPT | |
| SCHEMBL27337090 | 0.69 | KDM4E (0.38) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11648159 | 0.68 | CRHBP (0.46) | GAAALDH1A1HTTAOC3TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1455734-A1 | COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES | Yu, Ruey J., Dr. (US) | 2004-09-15 | — | — | EP | claimed |
| WO-2003045338-A1 | COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES | YU RUEY J (US) | 2003-06-05 | — | — | WO | claimed |