Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7710491 | 0.83 | CYP11B1 (0.37) | CYP3A4CYP2C9CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL2541982 | 0.82 | GAA (0.51) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL2541984 | 0.82 | GAA (0.51) | CYP3A4CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL26157240 | 0.75 | LMNA (0.36) | ALDH1A1 | |
| SCHEMBL16803140 | 0.75 | LMNA (0.37) | CYP2C19KDM4EALDH1A1 | |
| SCHEMBL16803037 | 0.73 | LMNA (0.40) | KDM4EALDH1A1MAPTCYP1A2ADORA2A | |
| SCHEMBL19189827 | 0.73 | GRM1 (0.45) | — | |
| SCHEMBL2081722 | 0.71 | CHRNB2 (0.52) | CYP3A4CYP2A6ALDH1A1CYP1A2CHRNB2 | |
| SCHEMBL2081724 | 0.71 | CHRNB2 (0.52) | CYP3A4CYP2A6ALDH1A1CYP1A2CHRNB2 | |
| SCHEMBL19746393 | 0.71 | NPC1 (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |