Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | CCR3 | P51677 | 2/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11007494 | 1.00 | CYP2A6 (0.44) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL11007492 | 1.00 | CYP2A6 (0.44) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL16619385 | 0.83 | LOXL2 (0.50) | CYP2A6MAOAMAOBLOXL2TRPA1 | |
| SCHEMBL4799528 | 0.83 | MAOB (0.57) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL4799521 | 0.83 | MAOB (0.57) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL10479938 | 0.81 | MAOB (0.56) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL10479842 | 0.81 | MAOB (0.56) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL10833394 | 0.81 | MAOB (0.56) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL11010472 | 0.81 | MAOA (0.43) | MAOAMAOBHRH3CCR3KCNH2 | |
| SCHEMBL11010477 | 0.81 | MAOA (0.43) | MAOAMAOBHRH3CCR3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0131837-A1 | Liquid crystalline compounds | MERCK PATENT GmbH (DE) | 1985-01-23 | — | — | EP | disclosed |