Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.48 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8313189 | 0.84 | TRPV1 (0.50) | CYP1A2RAB9AKDM4EALDH1A1CYP2D6 | |
| SCHEMBL8317897 | 0.83 | GAA (0.57) | CYP1A2RAB9AKCNQ3KCNQ2KCNE1 | |
| SCHEMBL2543756 | 0.83 | CA12 (0.53) | CYP1A2KDM4EALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL8317775 | 0.83 | LMNA (0.47) | CYP1A2RAB9AKDM4EALDH1A1PDK1 | |
| SCHEMBL8315698 | 0.83 | RAB9A (0.53) | CYP1A2RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL8314651 | 0.82 | RAB9A (0.47) | CYP1A2RAB9AKDM4EALDH1A1PDK1 | |
| SCHEMBL8311983 | 0.81 | RAB9A (0.58) | CYP1A2RAB9AKDM4EALDH1A1TAS1R3 | |
| SCHEMBL8816442 | 0.80 | RAB9A (0.62) | CYP1A2RAB9AKDM4EALDH1A1CYP2C19 | |
| SCHEMBL9182899 | 0.78 | RAB9A (0.58) | CYP1A2RAB9AKDM4EALDH1A1CYP2D6 | |
| SCHEMBL27509296 | 0.78 | KCNQ3 (0.57) | CYP1A2RAB9AKCNQ3KCNQ2KCNE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |
| CN-1106812-A | Tricyclic diaza * vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1995-08-16 | — | — | CN | disclosed |