Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | AQP1 | P29972 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4621402 | 0.95 | CA2 (0.38) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4234505 | 0.91 | AQP1 (0.40) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4620574 | 0.87 | AQP1 (0.40) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL8052650 | 0.86 | ALDH1A1 (0.38) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL8045681 | 0.86 | CA2 (0.36) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4620414 | 0.85 | AQP1 (0.51) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4620413 | 0.85 | AQP1 (0.51) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL8046144 | 0.85 | MAPT (0.35) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4619358 | 0.83 | CYP2D6 (0.43) | CA2ALDH1A1CYP2D6CYP3A4TSHR | |
| SCHEMBL4621433 | 0.83 | CYP2D6 (0.43) | CA2ALDH1A1CYP2D6CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |