Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8508039 | 0.82 | CA12 (0.36) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL31561733 | 0.81 | CA12 (0.40) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL3234431 | 0.79 | ACHE (0.44) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL6921372 | 0.73 | SLC22A12 (0.50) | AR | |
| SCHEMBL8808120 | 0.73 | CYP2D6 (0.42) | ALDH1A1GAAMAPTCYP2D6ACHE | |
| SCHEMBL25273298 | 0.72 | ADRB1 (0.43) | ALDH1A1MEN1LMNAKMT2ACYP3A4 | |
| SCHEMBL5905099 | 0.72 | AOC3 (0.40) | ADRA2AADRA1AALDH1A1KDM4EMEN1 | |
| SCHEMBL8502211 | 0.72 | AOC3 (0.57) | ADRA2AADRA1AALDH1A1KDM4EMEN1 | |
| SCHEMBL10216217 | 0.71 | CA1 (0.46) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL13178689 | 0.70 | CA12 (0.42) | CA12CA1CA2CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714395-B1 | VASOCONSTRICTIVE SUBSTITUTED DIHYDROPYRANOPYRIDINES | JANSSEN PHARMACEUTICA NV (BE) | 1999-03-31 | — | — | EP | disclosed |
| US-5691344-A | Vasoconstrictive substituted dihydropyranopyridines | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-11-25 | — | — | US | disclosed |
| EP-0714395-A1 | VASOCONSTRICTIVE SUBSTITUTED DIHYDROPYRANOPYRIDINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005381-A1 | VASOCONSTRICTIVE SUBSTITUTED DIHYDROPYRANOPYRIDINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |