Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.47 |
| ▸ | HTR6 | P50406 | 6/20 | 0.47 |
| ▸ | HTR7 | P34969 | 5/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.44 |
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6575064 | 0.92 | NOS2 (0.48) | DRD2HTR6HTR7HTR2AHTR1A | |
| Fumaric Acid SCHEMBL6575069 | 0.92 | NOS2 (0.48) | DRD2HTR6HTR7HTR2AHTR1A | |
| SCHEMBL6578874 | 0.82 | NOS2 (0.45) | DRD2HTR6HTR7HTR2AHTR1A | |
| SCHEMBL6577307 | 0.82 | NOS2 (0.45) | DRD2HTR6HTR7HTR2AHTR1A | |
| SCHEMBL6577190 | 0.80 | NOS2 (0.57) | DRD2HTR2AHTR1ACACNA2D1HTT | |
| SCHEMBL6499945 | 0.79 | NOS2 (0.47) | DRD2HTR2AHTR1ACACNA2D1HTT | |
| SCHEMBL6493327 | 0.79 | NOS2 (0.47) | DRD2HTR2AHTR1ACACNA2D1HTT | |
| SCHEMBL6501651 | 0.78 | NOS2 (0.46) | DRD2HTR2AHTR1ACACNA2D1HTT | |
| SCHEMBL6490105 | 0.78 | NOS2 (0.46) | DRD2HTR2AHTR1ACACNA2D1HTT | |
| SCHEMBL6492744 | 0.78 | NOS2 (0.66) | DRD2HTR2AHTR1ACACNA2D1HTT |
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 | DRD2 1762/4885HTR6 1116/4885HTR7 733/4885 |
“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.