Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13830687 | 0.77 | NPSR1 (0.50) | NPSR1CASP3KDM4EKIF11L3MBTL1 | |
| SCHEMBL29595709 | 0.77 | NPSR1 (0.53) | NPSR1CASP3KDM4EKIF11L3MBTL1 | |
| SCHEMBL811160 | 0.77 | NPSR1 (0.53) | NPSR1CASP3KDM4EKIF11L3MBTL1 | |
| SCHEMBL2443970 | 0.77 | KIF11 (0.45) | KDM4EKIF11RAB9ALMNA | |
| SCHEMBL155254 | 0.73 | METAP2 (0.36) | KDM4EALDH1A1LMNA | |
| SCHEMBL27344645 | 0.71 | KIF11 (0.63) | NPSR1CASP3KDM4EKIF11KMT2A | |
| SCHEMBL30641506 | 0.70 | NPSR1 (0.45) | NPSR1CASP3KDM4EKIF11L3MBTL1 | |
| SCHEMBL25405903 | 0.70 | KDM5B (0.36) | NPSR1KDM4EL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL29690424 | 0.70 | KIF11 (0.61) | NPSR1KDM4EKIF11KMT2AIDO1 | |
| SCHEMBL28530523 | 0.70 | KIF11 (0.61) | NPSR1KDM4EKIF11KMT2AIDO1 |
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-0122693-B1 | ANTIFUNGAL DI(AZOLYL)PROPANOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-08 | — | — | EP | disclosed |
| US-4625036-A | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-11-25 | — | — | US | disclosed |
| EP-0122693-A1 | Antifungal di(azolyl)propanol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-10-24 | — | — | EP | disclosed |