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 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.39 |
| ▸ | METAP2 | P50579 | 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 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 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 | |
|---|---|---|---|---|
| SCHEMBL7441131 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27474471 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27474459 | 0.78 | ALDH1A1 (0.62) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL9029629 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL10489823 | 0.76 | NLRP3 (0.60) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248569 | 0.74 | SMN1; SMN2 (0.54) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL30076159 | 0.72 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248817 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248809 | 0.72 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL27248819 | 0.72 | SMN1; SMN2 (0.48) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741715-B1 | NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | STANFORD RES INST INT (US) | 1998-08-26 | — | — | EP | disclosed |
| WO-1995020581-A1 | NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SRI INTERNATIONAL (US) | 1995-08-03 | — | — | WO | disclosed |
| US-5428021-A | Administering to inhibit serine proteases | SRI INTERNATIONAL (US) | 1995-06-27 | — | — | US | disclosed |