Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4662730 | 0.88 | ACP3 (0.43) | ALDH1A1SMN1; SMN2HPGDCYP2C9CYP2C19 | |
| SCHEMBL4661478 | 0.87 | ACP3 (0.41) | ALDH1A1LMNAGAASMN1; SMN2TDP1 | |
| SCHEMBL4660270 | 0.86 | MEN1 (0.40) | ALDH1A1SMN1; SMN2HPGDCYP2C9CYP2C19 | |
| SCHEMBL4661578 | 0.86 | MAPT (0.42) | ALDH1A1RAB9ANPC1GAATDP1 | |
| SCHEMBL4663676 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNAGAATDP1HPGD | |
| SCHEMBL4660010 | 0.85 | GAA (0.42) | ALDH1A1LMNAGAASMN1; SMN2TDP1 | |
| SCHEMBL4661637 | 0.85 | CMA1 (0.42) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL4660088 | 0.84 | ALDH1A1 (0.41) | ALDH1A1LMNAGAAHPGDCYP2C9 | |
| SCHEMBL4661582 | 0.84 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDCYP2C9CYP2C19 | |
| SCHEMBL4660174 | 0.82 | ALOX5 (0.39) | ALDH1A1LMNAGAAHPGDCYP2C9 |
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-1620102-B1 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH CORP (US) | 2008-12-24 | — | — | EP | claimed |