Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 4/20 | 0.54 |
| ▸ | CTSK | P43235 | 3/20 | 0.54 |
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | ECE1 | P42892 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | MME | P08473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10084557 | 0.95 | CYP3A4 (0.55) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30601624 | 0.93 | CYP3A4 (0.55) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623817 | 0.92 | CTSD (0.53) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623600 | 0.92 | CTSD (0.52) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623599 | 0.92 | CTSD (0.52) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623598 | 0.92 | CTSD (0.52) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10084883 | 0.89 | ITGB3 (0.51) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8536240 | 0.87 | CASP3 (0.58) | CYP3A4CTSDCTRB1CASP3CTSL | |
| SCHEMBL7269151 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CTSDCASP3CTSLCTSK | |
| SCHEMBL8742453 | 0.86 | CYP3A4 (0.61) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1123919-A1 | PROCESS FOR PRODUCING PEPTIDYL ALDEHYDES | Senju Pharmaceutical Co., Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |
| WO-1998038990-A1 | METHOD OF TREATING TRAUMA ASSOCIATED WITH BRAIN, SPINAL CORD OR PERIPHERAL NERVE INJURY USING CARBOBENZYLOXY N-PROTECTED DI- AND TRIPEPTIDE PHENYLALANINALS | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-11 | — | — | WO | disclosed |
| EP-0594656-A1 | 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES | SANDOZ LTD. (CH) | 1994-05-04 | — | — | EP | disclosed |
| WO-1993001166-A1 | 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES | SANDOZ LTD. (CH) | 1993-01-21 | — | — | WO | disclosed |