Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL6918126 | 0.80 | ESR1 (0.38) | ALDH1A1CYP3A4TSHRKDM4EAOC3 | |
| SCHEMBL6917367 | 0.79 | CYP3A4 (0.45) | CYP3A4LMNA | |
| SCHEMBL6907366 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRNLRP3KDM4E | |
| SCHEMBL11863427 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRNLRP3KDM4E | |
| SCHEMBL8374423 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRNLRP3KDM4E | |
| SCHEMBL6907477 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TSHRHSD17B1HSD17B2 | |
| SCHEMBL8619637 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHROPRM1LMNA | |
| SCHEMBL15667384 | 0.72 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRAOC3LMNA | |
| SCHEMBL6918202 | 0.71 | OPRM1 (0.38) | ALDH1A1TSHRKDM4EAOC3TAAR1 | |
| SCHEMBL26624253 | 0.71 | MTNR1A (0.53) | HSD17B1HSD17B2 |
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 |