Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706383 | 0.86 | KCNH2 (0.46) | KDM4ELMNACYP3A4GABRPGABRD | |
| SCHEMBL9850704 | 0.84 | KCNH2 (0.48) | KDM4ELMNACYP3A4GABRPGABRD | |
| SCHEMBL9697516 | 0.84 | KCNH2 (0.48) | KDM4ELMNACYP3A4GABRPGABRD | |
| SCHEMBL9706417 | 0.84 | KCNH2 (0.48) | KDM4ELMNACYP3A4GABRPGABRD | |
| SCHEMBL9850711 | 0.84 | KCNH2 (0.48) | KDM4ELMNACYP3A4GABRPGABRD | |
| SCHEMBL1022641 | 0.82 | — | — | |
| SCHEMBL19313500 | 0.79 | MYC (0.35) | HRH3CYP1A2CYP2D6 | |
| SCHEMBL19313495 | 0.78 | PDE2A (0.34) | — | |
| SCHEMBL991122 | 0.76 | CCR1 (0.46) | HRH3KDM4ELMNACYP3A4TSHR | |
| SCHEMBL16389875 | 0.76 | HRH3 (0.47) | HRH3KDM4ELMNACYP3A4TSHR |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |