Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3149296 | 0.98 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL29732980 | 0.72 | APP (0.63) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL845603 | 0.72 | APP (0.63) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| Bromide SCHEMBL29280642 | 0.71 | CYP2A6 (0.47) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL734280 | 0.70 | CYP2A6 (0.50) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL6651277 | 0.68 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL329714 | 0.68 | CA2 (0.50) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL21322484 | 0.68 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL21177766 | 0.68 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL847512 | 0.68 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2MGLLBCL2L1 |
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-0279063-B1 | ALLENYL AMINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-09 | — | — | EP | disclosed |