Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GPR39 | O43194 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18696087 | 0.80 | CYP1B1 (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1B1 | |
| SCHEMBL6827239 | 0.78 | CYP1B1 (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1B1 | |
| SCHEMBL21565052 | 0.76 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL6827432 | 0.76 | GRM5 (0.38) | ALDH1A1KDM4EHTT | |
| SCHEMBL6827385 | 0.73 | MTOR (0.35) | ALDH1A1CYP1B1PDE3AKDM4EHRH3 | |
| SCHEMBL6827379 | 0.72 | CYP1B1 (0.54) | ALDH1A1CYP1B1CNR2KDM4ELMNA | |
| SCHEMBL6827164 | 0.71 | NPC1 (0.41) | NPC1RAB9ACYP1B1 | |
| SCHEMBL6827392 | 0.71 | MAOA (0.39) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1B1 | |
| SCHEMBL6824842 | 0.71 | GRM5 (0.34) | ALDH1A1CNR2KDM4EHTT | |
| SCHEMBL20646572 | 0.71 | NPC1 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 |
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 |