Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GRM8 | O00222 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3183323 | 0.89 | CYP19A1 (0.40) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3822979 | 0.89 | CYP19A1 (0.40) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL2382554 | 0.89 | CYP19A1 (0.40) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6480804 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL1516192 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL348431 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL9603648 | 0.79 | ALDH1A1 (0.45) | CYP3A4CYP2C19KDM4ECYP51A1 | |
| 1-(4-Pyridyl)-1-Butanol SCHEMBL4956036 | 0.78 | CYP51A1 (0.43) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| 1-(4-Pyridyl)-1-Butanol SCHEMBL13909751 | 0.78 | CYP51A1 (0.43) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL15355244 | 0.77 | RIPK1 (0.55) | KDM4EHSD17B10RIPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743939-B2 | NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE | ASTRAZENECA AB (SE) | 2004-06-01 | — | — | US | disclosed |
| EP-1263714-B1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-06-05 | — | — | US | disclosed |
| EP-1263714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | NOS1, CYP1A1, NOS2 | CYP3A4 63/4885CYP19A1 216/4885CYP17A1 436/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.