Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | EGFR | P00533 | 5/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599969 | 0.86 | CYP2D6 (0.46) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| SCHEMBL6500286 | 0.81 | NOS2 (0.76) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| SCHEMBL6748032 | 0.77 | NOS2 (0.55) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| Hydrochloric Acid SCHEMBL6855357 | 0.76 | NOS2 (0.54) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| Hydrochloric Acid SCHEMBL6855347 | 0.76 | NOS2 (0.54) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| Oxalic Acid SCHEMBL6502777 | 0.76 | NOS2 (0.80) | NOS2CYP2D6SLC6A2SLC6A4MRGPRX4 | |
| SCHEMBL6489564 | 0.76 | SLC6A4 (0.59) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL6983849 | 0.74 | CYP2D6 (0.44) | NOS2CYP2D6SLC6A2SLC6A4EGFR | |
| SCHEMBL6980102 | 0.72 | CYP2D6 (0.43) | NOS2CYP2D6SLC6A2SLC6A4MRGPRX4 | |
| SCHEMBL7751616 | 0.71 | CYP11B1 (0.42) | CYP19A1CYP11B1CYP11B2KCNA5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003523988-A | — | — | 2003-08-12 | — | — | JP | claimed |
| EP-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | claimed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | claimed |
| EP-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |