Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3168388 | 1.00 | RELA (0.60) | RELAACHEALDH1A1TP53CYP3A4 | |
| SCHEMBL1930129 | 0.92 | ALDH1A1 (0.61) | RELAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL5056468 | 0.86 | CYP2A6 (0.50) | RELAACHETP53SMN1; SMN2CYP2A6 | |
| SCHEMBL21179476 | 0.84 | CYP2A6 (0.48) | RELAACHETP53SMN1; SMN2CYP2A6 | |
| SCHEMBL5360664 | 0.84 | NFE2L2 (0.61) | RELAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL5507847 | 0.84 | ALDH1A1 (0.52) | RELAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL6680147 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL8749818 | 0.84 | CALM1 (0.58) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5253949 | 0.84 | ALDH1A1 (0.52) | RELAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL5580077 | 0.83 | LTA4H (0.57) | ALDH1A1TP53CYP3A4TSHRALOX15 |
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-0710247-B1 | PROCESS FOR MANUFACTURE OF 1-DEAMINO-8-D-ARGININE VASOPRESSIN | FERRING BV (NL) | 2001-08-16 | — | — | EP | claimed |
| EP-0105696-A1 | Optically active N-substituted phenylalaninols and use therefor | Dainippon Pharmaceutical Co., Ltd. (JP) | 1984-04-18 | — | — | EP | claimed |