Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | PRKCG | P05129 | 1/20 | 0.51 |
| ▸ | PRKCB | P05771 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PRKCA | P17252 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | PRKCH | P24723 | 1/20 | 0.51 |
| ▸ | PRKCI | P41743 | 1/20 | 0.51 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.51 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.51 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.51 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12702937 | 0.82 | AXL (0.68) | CYP17A1 | |
| SCHEMBL9263280 | 0.81 | PSEN1 (0.58) | CYP17A1GHSR | |
| SCHEMBL526581 | 0.81 | CYP17A1 (1.00) | CYP17A1GHSR | |
| SCHEMBL1591181 | 0.80 | AXL (0.66) | CYP17A1CYP3A4CYP2D6 | |
| SCHEMBL17737761 | 0.79 | PRKD3 (0.59) | CYP17A1MEN1KMT2ASMN1; SMN2PRKD3 | |
| SCHEMBL15544714 | 0.78 | SMN1; SMN2 (0.56) | HTTMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL17737346 | 0.78 | MEN1 (0.60) | CYP17A1HTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17737448 | 0.77 | KEAP1 (0.62) | HTTMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL17737439 | 0.77 | MEN1 (0.54) | CYP17A1MEN1KMT2ASMN1; SMN2PRKD3 | |
| SCHEMBL526660 | 0.75 | CYP17A1 (1.00) | CYP17A1HTTMEN1KMT2AGHSR |
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-5245034-A | Compound having vessel smooth muscle relaxation activity | Hidaka, Kiroyoshi (JP) | 1993-09-14 | — | — | US | disclosed |
| US-5216150-A | Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor | Hidaka, Hiroyoshi (JP) | 1993-06-01 | — | — | US | disclosed |
| US-5081246-A | Isoquinolino sulfonamino derivatives | Hidaka, Hiroyoshi (JP) | 1992-01-14 | — | — | US | disclosed |