Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720167 | 0.81 | CYP3A4 (0.46) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10293554 | 0.71 | CYP2D6 (0.51) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL14720339 | 0.70 | — | — | |
| SCHEMBL14720494 | 0.70 | LMNA (0.33) | CHRM3LMNA | |
| SCHEMBL14720480 | 0.68 | GRIN2B (0.61) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL20474411 | 0.67 | CYP3A4 (0.48) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13326499 | 0.67 | GRIN2B (0.57) | GRIN2BCYP3A4CYP2D6CYP2C9KDM4E | |
| SCHEMBL1225401 | 0.65 | CDK9 (0.48) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13326502 | 0.64 | CDK4 (0.44) | GRIN2BCYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL14720415 | 0.64 | DRD2 (0.38) | ALDH1A1KDM4EHPGDRAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028445-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | WO | disclosed |