Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5166185 | 0.86 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3075559 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2CYP3A4CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL3087862 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3080049 | 0.83 | PROKR1 (0.53) | ALDH1A1SMN1; SMN2CYP3A4CYP1A2HPGD | |
| SCHEMBL3096010 | 0.82 | ALDH1A1 (0.63) | ALDH1A1KMT2ASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL5165555 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3081032 | 0.80 | CYP3A4 (0.56) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL3079341 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3091158 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL5168369 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EMEN1KMT2ALMNA |
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-1771417-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006010577-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-02 | — | — | WO | disclosed |