Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4619358 | 0.84 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4624328 | 0.84 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4621433 | 0.84 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL8052235 | 0.81 | CA2 (0.39) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4620574 | 0.81 | AQP1 (0.40) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4620413 | 0.81 | AQP1 (0.51) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4620414 | 0.81 | AQP1 (0.51) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL8052650 | 0.79 | ALDH1A1 (0.38) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL4621402 | 0.79 | CA2 (0.38) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL8863992 | 0.78 | CA2 (0.47) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714396-B1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2003-12-10 | — | — | EP | disclosed |
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | disclosed |