Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6344125 | 0.92 | CYP2A6 (0.51) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| Ammonia Solution, Strong SCHEMBL6237737 | 0.91 | CYP2A6 (0.50) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL1445507 | 0.79 | CYP2A6 (0.53) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL436458 | 0.78 | CYP2A6 (0.51) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL1444702 | 0.78 | CYP2A6 (0.45) | CYP2A6ADRB2ASIC3LOXL2NPY2R | |
| SCHEMBL1444257 | 0.75 | CYP2A6 (0.45) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL4847281 | 0.74 | CYP2A6 (0.56) | CYP2A6ADRB2ASIC3LOXL2NPY2R | |
| Tetrylammonium SCHEMBL2399019 | 0.73 | ALOX5 (0.64) | ALOX5CYP1A2PTGESLMNALTA4H | |
| SCHEMBL21400323 | 0.71 | CYP2A6 (0.53) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL6963172 | 0.70 | CYP2A6 (0.60) | CYP2A6ADRB2ASIC3LOXL2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005011613-A2 | COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE | EPIGENESIS PHARMACEUTICALS LLC (US) | 2005-02-10 | — | — | WO | disclosed |