Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12031820 | 0.90 | HPRT1 (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28596672 | 0.82 | DNMT1 (0.42) | DNMT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL19319911 | 0.82 | HPRT1 (0.42) | DNMT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL12019899 | 0.80 | AKR1C3 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL22978397 | 0.79 | NPC1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL24758930 | 0.79 | CYP2A6 (0.52) | CYP2A6DHFRTYMPMAPTMEN1 | |
| SCHEMBL15856479 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRDHFR | |
| SCHEMBL31589427 | 0.79 | CES1 (0.42) | DNMT1ALDH1A1HSD17B10TSHRHPRT1 | |
| SCHEMBL4138564 | 0.78 | DHFR (0.44) | DNMT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL196007 | 0.78 | DNMT1 (0.59) | DNMT1ALDH1A1HSD17B10CYP2A6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261573-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 Ontario Limited (CA) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001007386-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 ONTARIO LIMITED (CA) | 2001-02-01 | — | — | WO | disclosed |