Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8785618 | 0.81 | KCNN4 (0.43) | ALDH1A1CYP3A4CYP1A2KIF11HSD17B1 | |
| SCHEMBL9326006 | 0.80 | CA12 (0.41) | KIF11HSD17B1HSD17B2CA12CA2 | |
| SCHEMBL9080033 | 0.78 | CES2 (0.46) | KIF11LMNA | |
| SCHEMBL393199 | 0.77 | ESR1 (0.58) | ALDH1A1CYP3A4KIF11CA12CA2 | |
| SCHEMBL1547298 | 0.76 | HSD17B1 (0.53) | ALDH1A1CYP3A4CYP1A2KIF11HSD17B1 | |
| SCHEMBL19236477 | 0.75 | DRD2 (0.40) | ALDH1A1KIF11HSD17B1HSD17B2OPRM1 | |
| SCHEMBL1634402 | 0.74 | KIF11 (0.43) | CYP3A4CYP1A2KIF11HSD17B1HSD17B2 | |
| SCHEMBL5679931 | 0.74 | KIF11 (0.43) | CYP3A4CYP1A2KIF11HSD17B1HSD17B2 | |
| SCHEMBL31215161 | 0.73 | LMNA (0.44) | ALDH1A1CYP3A4KIF11HSD17B1HSD17B2 | |
| SCHEMBL4379660 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP3A4KIF11CA12CA2 |
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 |