Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27731723 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MAPTGAAHPGD | |
| SCHEMBL29100661 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTGAAHPGDAGTR1 | |
| SCHEMBL6974344 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19MRGPRX4NPSR1 | |
| SCHEMBL13211474 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19NPSR1KDM4E | |
| SCHEMBL6971769 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19MRGPRX4NPSR1 | |
| SCHEMBL6984472 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19NPSR1KDM4E | |
| SCHEMBL1558091 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19NPSR1RAB9A | |
| SCHEMBL946915 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19HPGDNPSR1 | |
| SCHEMBL16415765 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19MRGPRX4NPSR1 | |
| SCHEMBL6973532 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19MRGPRX4NPSR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994012179-A1 | INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | disclosed |
| US-5288743-A | Lipoxygenase inhibitors | ABBOTT LABORATORIES (US) | 1994-02-22 | — | — | US | disclosed |
| US-5084458-A | Bactericides, malaria and antitumor agents | SCHAPER KLAUS JUERGEN (DE) | 1992-01-28 | — | — | US | disclosed |
| EP-0150984-B1 | 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF | PFIZER INC. (US) | 1991-09-11 | — | — | EP | disclosed |
| US-5015473-A | Beta-lactamase inhibitors | PFIZER INC. (US) | 1991-05-14 | — | — | US | disclosed |
| US-4997835-A | Bactericides, malaria, antitumor | SCHAPER KLAUS JUERGEN (DE) | 1991-03-05 | — | — | US | disclosed |
| EP-0313630-A1 | SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. | DEUTSCHES AUSSATZIGEN HILFSWER (DE) | 1989-05-03 | — | — | EP | disclosed |
| US-4826833-A | ANTIBIOTICS | PFIZER INC. (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0150984-A2 | 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof | PFIZER INC. (US) | 1985-08-07 | — | — | EP | disclosed |