Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 13/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 7/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL12988090 | 0.69 | ROCK2 (0.49) | ATMPIK3C3ROCK2ROCK1CDC42BPB | |
| SCHEMBL9202150 | 0.68 | DRD2 (0.57) | MAPTHPGDSMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL9195679 | 0.64 | DRD2 (0.52) | MAPTHPGDSMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL27492 | 0.63 | — | — | |
| SCHEMBL10498693 | 0.63 | ATM (0.44) | ATMPIK3C3ROCK2ROCK1CDC42BPB | |
| SCHEMBL1388300 | 0.62 | DRD2 (0.56) | MAPTHPGDSMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL3013753 | 0.62 | ROCK2 (0.47) | ATMPIK3C3ROCK2ROCK1CDC42BPB | |
| SCHEMBL11470279 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL7288994 | 0.62 | — | — | |
| SCHEMBL28627062 | 0.62 | — | — |
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-0665833-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | claimed |