Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16298701 | 0.84 | APP (0.52) | CYP2A6CYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL8213728 | 0.83 | CYP1A2 (0.47) | CYP2A6CYP1A2NQO1HSD17B1HSD17B2 | |
| SCHEMBL16298669 | 0.81 | CHRM2 (0.55) | CYP2A6CYP2C9CHRNB2CYP2B6CYP2C19 | |
| SCHEMBL15802586 | 0.79 | ATM (0.47) | CYP2A6CYP1A2SLC6A2SLC6A3NQO1 | |
| SCHEMBL9743076 | 0.78 | APP (0.59) | CYP2A6CYP1A2NQO1HSD17B1HSD17B2 | |
| SCHEMBL11470578 | 0.77 | CYP1A2 (0.52) | CYP2A6CYP1A2NQO1HSD17B1HSD17B2 | |
| SCHEMBL22222372 | 0.75 | CYP1A2 (0.50) | CYP2A6CYP1A2NQO1HSD17B1HSD17B2 | |
| SCHEMBL15834401 | 0.75 | CYP1A2 (0.40) | CYP2A6CYP1A2SLC6A2SLC6A3NQO1 | |
| SCHEMBL9744218 | 0.75 | ESR1 (0.50) | CYP2A6CYP1A2NQO1HPGDS | |
| SCHEMBL9361641 | 0.74 | ALDH1A1 (0.46) | CYP1A2SLC6A2SLC6A3CYP2C9CYP2C19 |
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-9777320-B2 | Molecular adaptors for dye conjugates | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2017-10-03 | — | — | US | disclosed |