Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 2/20 | 0.64 |
| ▸ | HEXB | P07686 | 2/20 | 0.64 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.63 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.63 |
| ▸ | DHFR | P00374 | 2/20 | 0.62 |
| ▸ | GHSR | Q92847 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9765101 | 0.99 | HEXA (0.62) | HEXAHEXBNCOA1NCOA3DHFR | |
| SCHEMBL6244594 | 0.84 | GHSR (0.76) | HEXAHEXBNCOA1NCOA3DHFR | |
| SCHEMBL12368253 | 0.78 | HEXA (1.00) | HEXAHEXBDHFRCYP2D6 | |
| SCHEMBL6359292 | 0.78 | NCOA1 (1.00) | NCOA1NCOA3CYP2D6 | |
| SCHEMBL28745381 | 0.77 | CFTR (0.45) | DHFR | |
| SCHEMBL29913145 | 0.77 | DHFR (1.00) | HEXAHEXBDHFRCYP2D6 | |
| SCHEMBL11881285 | 0.77 | DHFR (1.00) | HEXAHEXBDHFRCYP2D6 | |
| SCHEMBL8591506 | 0.76 | NCOA1 (0.71) | NCOA1NCOA3CYP2D6 | |
| SCHEMBL11002112 | 0.76 | NCOA1 (0.71) | NCOA1NCOA3CYP2D6 | |
| SCHEMBL8588709 | 0.76 | CYP2D6 (0.77) | NCOA1NCOA3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4992444-A | Antitumor agents, skin disorders | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1991-02-12 | — | — | US | claimed |