Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2476561 | 0.83 | ENPP2 (0.70) | CYP2D6CYP2C9GRIN2BENPP2POLB | |
| SCHEMBL16568979 | 0.78 | ENPP2 (0.63) | CYP2D6CYP2C9GRIN2BENPP2F10 | |
| SCHEMBL28219844 | 0.76 | SMN1; SMN2 (0.57) | NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL11750711 | 0.75 | ENPP2 (0.78) | CYP2D6CYP2C9GRIN2BENPP2LMNA | |
| SCHEMBL13588931 | 0.74 | KDM4E (0.69) | CYP2C9KDM1ARCOR1KDM4ELMNA | |
| SCHEMBL4382017 | 0.74 | KDM4E (0.69) | CYP2C9KDM1ARCOR1KDM4ELMNA | |
| SCHEMBL5591753 | 0.73 | PREP (0.48) | CYP2D6CYP2C9GRIN2BNPC1RAB9A | |
| SCHEMBL7327862 | 0.72 | ALDH1A1 (0.66) | CYP2D6CYP2C9GRIN2BPOLBF10 | |
| SCHEMBL7327865 | 0.72 | ALDH1A1 (0.66) | CYP2D6CYP2C9GRIN2BPOLBF10 | |
| SCHEMBL1554194 | 0.72 | TDP1 (0.61) | TDP1 |
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-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |