Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL7556318 | 0.74 | CYP2C19 (0.38) | CYP2C19SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10967759 | 0.74 | LMNA (0.41) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1458053 | 0.73 | CYP2C19 (0.51) | CYP2C19SMN1; SMN2CYP2D6SLC6A3 | |
| SCHEMBL1458049 | 0.73 | CYP2C19 (0.51) | CYP2C19SMN1; SMN2CYP2D6SLC6A3 | |
| SCHEMBL6125635 | 0.73 | CYP2C19 (0.51) | CYP2C19SMN1; SMN2CYP2D6SLC6A3 | |
| SCHEMBL1615641 | 0.72 | EPHX1 (0.40) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8693156 | 0.71 | CYP1A2 (0.39) | CYP2C19SMN1; SMN2L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL10584727 | 0.71 | EPHX1 (0.54) | CYP2C19SMN1; SMN2CYP1A2CYP2D6SLC6A3 | |
| SCHEMBL28678702 | 0.71 | CYP2C19 (0.45) | CYP2C19SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9675723 | 0.71 | CYP2C19 (0.38) | CYP2C19SMN1; SMN2L3MBTL1CYP1A2CYP3A4 |
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-2493880-A1 | HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES | E. I. du Pont de Nemours and Company (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011059619-A1 | HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| US-5037975-A | Antibiotics | ELI LILLY AND COMPANY (US) | 1991-08-06 | — | — | US | disclosed |