Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 8/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL6827164 | 0.90 | NPC1 (0.41) | PRKDCNPC1RAB9APGRCYP1B1 | |
| SCHEMBL18696087 | 0.86 | CYP1B1 (0.46) | NPC1RAB9APGRCYP1B1CYP3A4 | |
| SCHEMBL6827962 | 0.73 | TDP1 (0.47) | DAOCYP3A4CYP2C9 | |
| SCHEMBL6827176 | 0.73 | DAO (0.39) | DAO | |
| SCHEMBL6923317 | 0.73 | L3MBTL1 (0.42) | CYP1B1 | |
| SCHEMBL2821627 | 0.71 | PRKDC (0.59) | PRKDCCYP1B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6922985 | 0.69 | L3MBTL1 (0.50) | PRKDCHDAC3HDAC1HDAC2CYP3A4 | |
| SCHEMBL7943971 | 0.69 | NPC1 (0.55) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL6829543 | 0.68 | PGR (0.43) | PRKDCNPC1RAB9APGRCYP1B1 | |
| SCHEMBL10368257 | 0.67 | ACHE (0.68) | NPC1RAB9ACYP2D6 |
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-2004050624-A1 | SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES | C & C RESEARCH LABORATORIES (KR) | 2004-06-17 | — | — | WO | disclosed |