Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9080475 | 0.91 | ACHE (0.37) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL4430846 | 0.80 | TP53 (0.39) | ALDH1A1TSHRACHEHTTKIF11 | |
| SCHEMBL9079288 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL10624241 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHROPRM1HTTCYP3A4 | |
| SCHEMBL7673680 | 0.76 | KIF11 (0.40) | ALDH1A1ACHEKIF11CA2CYP3A4 | |
| SCHEMBL11496599 | 0.76 | HTT (0.41) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL15242489 | 0.75 | MAPT (0.46) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL9365960 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL1008679 | 0.73 | ESR1 (0.42) | ALDH1A1TSHRACHEOPRM1OPRD1 | |
| SCHEMBL9081259 | 0.71 | ATM (0.45) | OPRM1OPRD1OPRK1KIF11ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5519022-A | α, α dialkylbenzyl derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| US-5288742-A | Lipoxygenase inhibitor | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-02-22 | — | — | US | disclosed |
| EP-0505122-A1 | Alpha, alpha-dialkylbenzyl derivatives | ZENECA LIMITED (GB) | 1992-09-23 | — | — | EP | disclosed |