Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8829710 | 1.00 | NPC1 (0.52) | NPC1ALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL8430344 | 0.91 | APAF1 (0.49) | ALDH1A1KDM4EAPAF1ACP3KEAP1 | |
| SCHEMBL8829781 | 0.91 | APAF1 (0.49) | ALDH1A1KDM4EAPAF1ACP3KEAP1 | |
| SCHEMBL8829775 | 0.85 | CASR (0.48) | ACP3KEAP1NFE2L2 | |
| SCHEMBL8829696 | 0.83 | ALDH1A1 (0.48) | NPC1ALDH1A1KDM4EAPAF1ACP3 | |
| SCHEMBL8430466 | 0.83 | PHGDH (0.45) | NPC1ALDH1A1CYP3A4CYP2C19APAF1 | |
| SCHEMBL8829768 | 0.83 | PHGDH (0.45) | NPC1ALDH1A1CYP3A4CYP2C19APAF1 | |
| SCHEMBL8902251 | 0.81 | GAA (0.44) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12154078 | 0.79 | NPC1 (0.56) | NPC1ALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL14180860 | 0.79 | NPC1 (0.56) | NPC1ALDH1A1KDM4ECYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5939561-A | Process for the preparation of β-phenylisoserine and β-lactam and their analogues | RHONE-POULENCE RORER S.A. (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5763628-A | Process for the preparation of β-phenylisoserine and its analogues | RHONE-POULENCE RORER S.A. (FR) | 1998-06-09 | — | — | US | disclosed |