Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 7/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11044632 | 0.74 | UTS2R (0.40) | SLC6A4SLC6A3UTS2RSLC6A2EGFR | |
| SCHEMBL10595423 | 0.72 | CYP3A4 (0.43) | ALDH1A1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL10594327 | 0.68 | SLC6A3 (0.33) | SLC6A4SLC6A3UTS2RSLC6A2MAOA | |
| SCHEMBL28869919 | 0.67 | EGFR (0.74) | UTS2REGFR | |
| SCHEMBL10593453 | 0.67 | SLC6A4 (0.36) | ALDH1A1SLC6A4SLC6A3SLC6A2MAOA | |
| SCHEMBL1041125 | 0.66 | SLC6A4 (0.52) | ALDH1A1SLC6A4SLC6A3SLC6A2MAOA | |
| SCHEMBL28309660 | 0.66 | UTS2R (0.43) | SLC6A4SLC6A3UTS2REGFRMAOA | |
| SCHEMBL28618351 | 0.64 | SLC6A4 (0.39) | ALDH1A1SLC6A4SLC6A3UTS2RSLC6A2 | |
| SCHEMBL3121940 | 0.63 | SLC6A4 (0.58) | ALDH1A1SLC6A4SLC6A3SLC6A2MAOA | |
| SCHEMBL10876682 | 0.63 | SLC6A4 (0.40) | SLC6A4SLC6A3UTS2RSLC6A2KDM1A |
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-0089100-B1 | AZOLYL DERIVATIVES AS FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |
| US-4518415-A | PLANT GROWTH REGULATORS, FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-05-21 | — | — | US | disclosed |
| EP-0089100-A2 | Azolyl derivatives as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-09-21 | — | — | EP | disclosed |