Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.45 |
| ▸ | VCP | P55072 | 9/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1735520 | 0.89 | KDM4E (0.56) | KDM4EADORA1HTTGLAFPR2 | |
| SCHEMBL1735526 | 0.88 | SCN9A (0.49) | KDM4EVCPGLAFPR2SCN9A | |
| SCHEMBL1735530 | 0.88 | ADORA1 (0.46) | ADORA1VCPADORA3ADORA2AADORA2B | |
| SCHEMBL1733485 | 0.87 | VCP (0.49) | KDM4EADORA1VCPFPR2SCN9A | |
| SCHEMBL1734498 | 0.84 | VCP (0.47) | ADORA1VCPFPR2SCN9AALDH1A1 | |
| SCHEMBL1734431 | 0.84 | KDM4E (0.51) | KDM4EADORA1HTTGLAFPR2 | |
| SCHEMBL1734181 | 0.83 | KDM4E (0.50) | KDM4EADORA1HTTGLAFPR2 | |
| SCHEMBL1733456 | 0.78 | VCP (0.70) | VCP | |
| SCHEMBL1733575 | 0.78 | FPR2 (0.55) | KDM4EADORA1HTTGLAFPR2 | |
| SCHEMBL1734509 | 0.77 | KDM4E (0.49) | KDM4EADORA1HTTGLAFPR2 |
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-1891018-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2011-11-16 | — | — | EP | claimed |
| WO-2011131686-A1 | A THERMALLY CONTROLLED ASSEMBLY | NAPATECH A/S (DK) | 2011-10-27 | — | — | WO | claimed |