Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPRF | P10586 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7380110 | 0.77 | ALDH1A1 (0.44) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL1210867 | 0.76 | CYP2A6 (0.48) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL5949997 | 0.76 | CASP1 (0.41) | CYP2A6CASP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL8602846 | 0.76 | CA12 (0.42) | CYP2A6CASP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL516181 | 0.76 | CASP1 (0.41) | CYP2A6CASP1ALDH1A1HSD17B10HPGD | |
| Methane SCHEMBL28759107 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL7563629 | 0.72 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL7987419 | 0.72 | TSHR (0.42) | ALDH1A1MAPK1KMT2ATDP1MEN1 | |
| SCHEMBL27926064 | 0.72 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL11429554 | 0.72 | KMT2A (0.47) | CYP2A6CASP1ALDH1A1HSD17B10HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5994398-A | ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 1999-11-30 | — | — | US | disclosed |
| WO-1998025893-A1 | ARYLSULFONAMIDES AS PHOSPHOLIPASE A2 INHIBITORS | ATHENA NEUROSCIENCES, INC. (US) | 1998-06-18 | — | — | WO | disclosed |