Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6256508 | 0.99 | KMT2A (0.44) | SLC18A2KMT2AALDH1A1TSHRCYP2D6 | |
| SCHEMBL6256736 | 0.89 | CYP2D6 (0.55) | SLC18A2KMT2AALDH1A1TSHRCYP2D6 | |
| SCHEMBL5222045 | 0.88 | CYP2D6 (0.54) | SLC18A2KMT2AALDH1A1TSHRCYP2D6 | |
| SCHEMBL4490566 | 0.74 | CYP1A2 (0.55) | KMT2AALDH1A1TSHRCYP2D6SIGMAR1 | |
| SCHEMBL6258338 | 0.73 | KCNH2 (0.47) | KMT2ACYP2D6SIGMAR1HTTLMNA | |
| SCHEMBL4509510 | 0.73 | CYP1A2 (0.57) | ALDH1A1TSHRCYP2D6SIGMAR1KDM4E | |
| SCHEMBL6261178 | 0.71 | MEN1 (0.47) | KMT2AALDH1A1CYP2D6SIGMAR1KDM4E | |
| SCHEMBL6259496 | 0.70 | RAB9A (0.54) | KMT2AALDH1A1TSHRCYP2D6KDM4E | |
| SCHEMBL7277594 | 0.69 | HTT (0.56) | KMT2AALDH1A1HTTMEN1 | |
| SCHEMBL4498990 | 0.65 | MEN1 (0.63) | KMT2AALDH1A1CYP2D6POLBL3MBTL1 |
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-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |