Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | LCK | P06239 | 1/20 | 0.67 |
| ▸ | MAOB | P27338 | 5/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031499 | 0.86 | CYP2D6 (0.76) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL1104926 | 0.86 | CYP2D6 (0.75) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9387319 | 0.85 | CYP2D6 (0.74) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL67779 | 0.84 | CYP2D6 (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL17299899 | 0.84 | CYP2D6 (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL24025689 | 0.84 | CYP2D6 (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29443248 | 0.84 | CYP2D6 (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6229629 | 0.84 | DYRK1A (0.78) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL18921190 | 0.84 | CYP2D6 (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3194989 | 0.84 | KDM4E (0.72) | CYP2D6KDM4EALDH1A1HPGDHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1075539-B1 | 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 2008-08-06 | — | — | EP | disclosed |
| US-6617124-B1 | Assay for testing for enzyme inhibitors which comprises contacting the enzyme and a compound of given formula; measuring inhibition of O-dealkylation of the compound by the enzyme | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-09-09 | — | — | US | disclosed |
| EP-1075539-A1 | 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999058710-A1 | 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 1999-11-18 | — | — | WO | disclosed |