Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL13624010 | 0.84 | P2RX7 (0.39) | ALDH1A1KMT2AGRIN2BP2RX7LMNA | |
| SCHEMBL13623996 | 0.80 | P2RX7 (0.45) | ALDH1A1KMT2AGSK3AGSK3BGRIN2B | |
| SCHEMBL13634013 | 0.76 | PSEN1 (0.41) | KMT2ACYP2C19 | |
| SCHEMBL10200297 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KMT2AGSK3AGSK3BP2RX7 | |
| SCHEMBL13624040 | 0.72 | GRIN2B (0.48) | KMT2AGRIN2BP2RX7 | |
| SCHEMBL13624018 | 0.72 | PIK3CD (0.45) | ALDH1A1GSK3AGSK3BP2RX7LMNA | |
| SCHEMBL13624016 | 0.70 | P2RX7 (0.43) | ALDH1A1KMT2AGRIN2BP2RX7 | |
| SCHEMBL13624017 | 0.70 | KMT2A (0.40) | ALDH1A1KMT2AGSK3AGSK3B | |
| SCHEMBL4340176 | 0.62 | P2RX7 (0.58) | P2RX7 | |
| SCHEMBL3341365 | 0.61 | P2RX7 (0.52) | ALDH1A1KMT2AP2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| US-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |