Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | METAP2 | P50579 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.40 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27474471 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27474459 | 0.78 | ALDH1A1 (0.62) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL7439680 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL28931615 | 0.74 | TAAR1 (0.43) | SMN1; SMN2METAP2MAPK1MAPT | |
| SCHEMBL10489851 | 0.73 | ALDH1A1 (0.56) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL3986782 | 0.73 | METAP2 (0.47) | CYP1A2CYP2C9CYP2C19SMN1; SMN2METAP2 | |
| SCHEMBL10489716 | 0.73 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248817 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL10489654 | 0.72 | ALDH1A1 (0.57) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248569 | 0.71 | SMN1; SMN2 (0.54) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 |
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-0741715-A1 | NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SRI INTERNATIONAL (US) | 1996-11-13 | — | — | EP | disclosed |