Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3386391 | 1.00 | ROCK1 (0.60) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3387003 | 0.87 | KDM4E (0.53) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3385717 | 0.87 | KDM4E (0.53) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL9957537 | 0.86 | KDM4E (0.59) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL9958168 | 0.86 | KDM4E (0.59) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3235999 | 0.85 | KDM4E (0.58) | ROCK1KDM4ETDP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11847984 | 0.84 | MEN1 (0.62) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3581363 | 0.83 | KDM4E (0.56) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3571478 | 0.82 | KDM4E (0.55) | ROCK1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL3574201 | 0.82 | KDM4E (0.55) | ROCK1KDM4ETDP1MEN1KMT2A |
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-7572823-B2 | Heteroaryl carboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |