Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.77 |
| ▸ | CYP21A2 | P08686 | 15/20 | 0.77 |
| ▸ | CYP19A1 | P11511 | 15/20 | 0.77 |
| ▸ | CYP17A1 | P05093 | 14/20 | 0.77 |
| ▸ | CYP11B1 | P15538 | 13/20 | 0.77 |
| ▸ | USP2 | O75604 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.77 |
| ▸ | LMNA | P02545 | 2/20 | 0.77 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.77 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.77 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.77 |
| ▸ | TSHR | P16473 | 2/20 | 0.77 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.77 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.77 |
| ▸ | HTR2A | P28223 | 2/20 | 0.77 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL11074202 | 1.00 | CYP3A4 (0.77) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11390270 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11394325 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11390273 | 0.96 | CYP3A4 (0.70) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11074098 | 0.91 | CYP3A4 (0.79) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11074096 | 0.91 | CYP3A4 (0.79) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11074127 | 0.91 | CYP3A4 (0.81) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11074125 | 0.91 | CYP3A4 (0.81) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11072911 | 0.90 | CYP3A4 (0.80) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11072912 | 0.90 | CYP3A4 (0.80) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4490530-A | ANTIFUNGAL, ANTIBACTERIAL | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-12-25 | — | — | US | disclosed |
| US-4368200-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-11 | — | — | US | disclosed |
| US-4267179-A | AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1981-05-12 | — | — | US | disclosed |