Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMOX1 | P09601 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | CYP27B1 | O15528 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL11079929 | 1.00 | HMOX1 (0.46) | HMOX1CYP19A1CYP11B1CYP11B2ADRA1A | |
| SCHEMBL11108946 | 0.93 | CYP3A4 (0.41) | HMOX1CYP19A1CYP11B1CYP11B2HSP90AA1 | |
| SCHEMBL11108956 | 0.93 | CYP3A4 (0.41) | HMOX1CYP19A1CYP11B1CYP11B2HSP90AA1 | |
| Benzoic Acid SCHEMBL11109745 | 0.90 | ADRA1A (0.40) | HMOX1CYP19A1CYP11B1CYP11B2ADRA1A | |
| Benzoic Acid SCHEMBL11109748 | 0.90 | ADRA1A (0.40) | HMOX1CYP19A1CYP11B1CYP11B2ADRA1A | |
| SCHEMBL10564528 | 0.90 | ADRA1A (0.49) | HMOX1CYP19A1CYP11B1CYP11B2ADRA1A | |
| SCHEMBL10564539 | 0.90 | ADRA1A (0.49) | HMOX1CYP19A1CYP11B1CYP11B2ADRA1A | |
| SCHEMBL11468769 | 0.89 | HSP90AA1 (0.51) | CYP19A1CYP11B1CYP11B2ADRA1AHSP90AA1 | |
| SCHEMBL9489020 | 0.86 | CYP3A4 (0.44) | CYP19A1CYP11B1CYP11B2HSP90AA1NPSR1 | |
| SCHEMBL9489027 | 0.86 | CYP3A4 (0.44) | CYP19A1CYP11B1CYP11B2HSP90AA1NPSR1 |
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-4490540-A | FUNGICIDES, ANTITUMOR AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-12-25 | — | — | US | disclosed |
| EP-0052905-B1 | NOVEL (2-ARYL-4-PHENYLTHIOALKYL-1,3-DIOXOLAN-2-YL-METHYL)AZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-10-03 | — | — | EP | disclosed |
| EP-0052905-A1 | Novel (2-aryl-4-phenylthioalkyl-1,3-dioxolan-2-yl-methyl)azole derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-06-02 | — | — | EP | disclosed |