Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10486968 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP3A4SRD5A1LMNACHRM2 | |
| SCHEMBL5517358 | 0.72 | CYP3A4 (0.44) | ALDH1A1CYP3A4SRD5A1GAALMNA | |
| SCHEMBL14494031 | 0.72 | CYP3A4 (0.44) | ALDH1A1CYP3A4SRD5A1GAALMNA | |
| SCHEMBL14494020 | 0.72 | CYP3A4 (0.44) | ALDH1A1CYP3A4SRD5A1GAALMNA | |
| SCHEMBL6249460 | 0.71 | SRD5A1 (0.44) | ALDH1A1CYP3A4SRD5A1MAPTKDM4E | |
| SCHEMBL8855166 | 0.71 | ALDH1A1 (0.33) | ALDH1A1CYP3A4HPGDKDM4E | |
| SCHEMBL12260114 | 0.66 | ALDH1A1 (0.51) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL11456004 | 0.66 | CYP3A4 (0.41) | CYP3A4MAPTCYP19A1 | |
| SCHEMBL11456003 | 0.66 | CYP3A4 (0.41) | CYP3A4MAPTCYP19A1 | |
| SCHEMBL20478854 | 0.65 | ALDH1A1 (0.53) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT |
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-5654343-A | NITRIC OXIDE SYNTHESIS INHIBITOR; TREATING ENDOTOXIC SHOCK | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0676196-A1 | NITROGEN MONOXIDE SYNTHESIS INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-11 | — | — | EP | disclosed |