Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8076938 | 0.84 | ACACB (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9054488 | 0.81 | CYP1A2 (0.44) | NPC1RAB9ACYP1A2SRRMMP8 | |
| SCHEMBL8076967 | 0.81 | CYP1A2 (0.53) | CYP1A2MMP8 | |
| SCHEMBL6586336 | 0.80 | ALPI (0.58) | CYP1A2SRR | |
| SCHEMBL28318428 | 0.80 | CYP1A2 (0.43) | CYP3A4TSHRALDH1A1CYP1A2SRR | |
| SCHEMBL6593251 | 0.80 | ALPI (0.58) | CYP1A2SRR | |
| SCHEMBL17761604 | 0.79 | ALDH1A1 (0.60) | HPGDCYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL517463 | 0.79 | ALDH1A1 (0.60) | HPGDCYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL2600694 | 0.79 | ALDH1A1 (0.60) | HPGDCYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL9622499 | 0.79 | CTSK (0.45) | HPGDTSHRNPC1RAB9AHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1031629-A2 | Method of preparation of stereoisomeric carboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-30 | — | — | EP | disclosed |