Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12892599 | 0.87 | CYP2C9 (0.46) | SLC22A12CYP2C9CYP1A2CYP2C19MEN1 | |
| SCHEMBL4314968 | 0.83 | GFER (0.58) | SLC22A12MEN1MAPTKMT2AKDM4E | |
| SCHEMBL14949666 | 0.82 | SLC22A12 (0.53) | SLC22A12MEN1MAPTKMT2AKDM4E | |
| SCHEMBL13981779 | 0.79 | KDM4E (0.53) | SLC22A12BRD4KDM4ELMNAHTT | |
| SCHEMBL1260264 | 0.79 | KDM4E (0.46) | SLC22A12CYP2C9CYP1A2CYP2C19MEN1 | |
| SCHEMBL3672096 | 0.78 | KDR (0.49) | SLC22A12CYP2C9CYP1A2CYP2C19MEN1 | |
| SCHEMBL3514696 | 0.76 | CYP2C9 (0.79) | CYP2C9CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL14949682 | 0.74 | CDK8 (0.58) | — | |
| SCHEMBL3512974 | 0.73 | CYP2C9 (0.64) | CYP2C9CYP1A2CYP2C19MEN1MAPT | |
| SCHEMBL3669507 | 0.73 | KDR (0.52) | CYP2C9CYP1A2CYP2C19MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |