Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL7249227 | 0.90 | AKR1B1 (0.63) | AKR1B1NPSR1LMNAGAATSHR | |
| SCHEMBL5270823 | 0.85 | AKR1B1 (0.55) | AKR1B1ITGB3ITGA2BNPSR1LMNA | |
| SCHEMBL6820924 | 0.84 | AKR1B1 (0.41) | AKR1B1CYP1A2CYP2C19PLA2G10PLA2G2A | |
| SCHEMBL8784408 | 0.83 | AKR1B1 (0.48) | AKR1B1CYP1A2CYP2C19NPSR1KMT2A | |
| SCHEMBL27804723 | 0.83 | HTR6 (0.46) | NPSR1 | |
| SCHEMBL6817457 | 0.81 | AKR1B1 (0.40) | AKR1B1CYP1A2CYP2C19PLA2G10PLA2G2A | |
| SCHEMBL28148401 | 0.78 | NPSR1 (0.64) | CYP2C19NPSR1GAATSHRHTT | |
| SCHEMBL75885 | 0.78 | NPSR1 (0.64) | CYP2C19NPSR1GAATSHRHTT | |
| SCHEMBL75883 | 0.78 | NPSR1 (0.64) | CYP2C19NPSR1GAATSHRHTT | |
| Urea SCHEMBL23005263 | 0.76 | NPSR1 (0.61) | CYP2C19NPSR1GAATSHRHTT |
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-1042279-B1 | SUBSTITUTED BETA-ALANINES | AVENTIS PHARMA LTD (GB) | 2005-03-02 | — | — | EP | disclosed |
| US-6352977-B1 | ALANINE WITH PRODRUGS | AVENTIS PHARMA LIMITED (GB) | 2002-03-05 | — | — | US | disclosed |
| EP-1042279-A1 | SUBSTITUTED BETA-ALANINES | Aventis Pharma Limited (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033789-A1 | SUBSTITUTED β-ALANINES | AVENTIS PHARMA LIMITED (GB) | 1999-07-08 | — | — | WO | disclosed |