Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL7651383 | 0.81 | NOS2 (0.50) | CYP2D6SLC6A2SLC6A4NOS2TRPA1 | |
| SCHEMBL6531632 | 0.74 | AAK1 (0.37) | CYP2D6SLC6A2SLC6A4NOS2TRPA1 | |
| SCHEMBL6491446 | 0.69 | NOS2 (0.72) | CYP2D6SLC6A2SLC6A4NOS2BCL2A1 | |
| SCHEMBL6576720 | 0.69 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4NOS2AAK1 | |
| SCHEMBL6575167 | 0.69 | SLC6A4 (0.53) | CYP2D6SLC6A2SLC6A4NOS2 | |
| Fumaric Acid SCHEMBL6500083 | 0.69 | NOS2 (0.67) | CYP2D6SLC6A2SLC6A4NOS2BCL2A1 | |
| Fumaric Acid SCHEMBL6500086 | 0.69 | NOS2 (0.67) | CYP2D6SLC6A2SLC6A4NOS2BCL2A1 | |
| SCHEMBL6488974 | 0.68 | NOS2 (0.64) | CYP2D6SLC6A2SLC6A4NOS2TRPA1 | |
| Oxalic Acid SCHEMBL6500140 | 0.68 | NOS2 (0.58) | CYP2D6SLC6A2SLC6A4NOS2BCL2A1 | |
| Fumaric Acid SCHEMBL6576574 | 0.68 | NOS2 (0.51) | CYP2D6SLC6A2SLC6A4NOS2BCL2A1 |
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-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 |
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 | CYP2D6 65/4885SLC6A2 2667/4885SLC6A4 2202/4885 |
“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.