Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9450002 | 0.77 | TBXA2R (0.48) | — | |
| SCHEMBL9450000 | 0.77 | TBXA2R (0.48) | — | |
| SCHEMBL9449549 | 0.76 | CYP17A1 (0.43) | CYP17A1L3MBTL1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL9790065 | 0.76 | CYP17A1 (0.43) | CYP17A1L3MBTL1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL9449548 | 0.73 | TBXA2R (0.47) | DRD4ALDH1A1 | |
| SCHEMBL9449662 | 0.73 | TBXA2R (0.47) | DRD4ALDH1A1 | |
| SCHEMBL9790099 | 0.69 | CYP19A1 (0.50) | CYP17A1L3MBTL1DRD2HTR2AHTR2C | |
| SCHEMBL9449551 | 0.68 | TBXA2R (0.38) | — | |
| SCHEMBL966690 | 0.66 | CYP17A1 (0.59) | CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL10965318 | 0.64 | CYP19A1 (0.46) | CYP17A1SIGMAR1CYP19A1CYP11B2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5006153-A | Fungicides or plant growth regulator | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1991-04-09 | — | — | US | disclosed |
| EP-0351979-A2 | Azole derivatives of naphthaleone oxime esters | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1990-01-24 | — | — | EP | disclosed |