Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6577374 | 1.00 | NOS2 (0.66) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6578859 | 0.85 | NOS2 (0.51) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6579544 | 0.85 | NOS2 (0.51) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6576444 | 0.85 | NOS2 (0.51) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6575192 | 0.85 | NOS2 (0.51) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6492851 | 0.80 | NOS2 (1.00) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6492848 | 0.80 | NOS2 (1.00) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6577190 | 0.76 | NOS2 (0.57) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6830951 | 0.76 | NOS2 (0.53) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6577371 | 0.74 | NOS2 (0.54) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 |
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 10 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 | claimed |
| EP-1263714-B1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | claimed |
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-06-05 | — | — | US | claimed |
| EP-1263714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | claimed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | claimed |
| 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 | NOS2 3/4885SLC6A4 2202/4885SLC6A2 2667/4885 |
“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.