Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31432929 | 1.00 | TRPA1 (0.46) | TRPA1ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL9620498 | 0.81 | CA12 (0.42) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL2843781 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL28762801 | 0.78 | ALDH1A1 (0.37) | TRPA1ALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL6839848 | 0.78 | TAAR1 (0.50) | TRPA1CYP2A6DPP4CA12CA1 | |
| SCHEMBL6833629 | 0.78 | MAOB (0.42) | TRPA1 | |
| SCHEMBL28769029 | 0.76 | MEN1 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL28031086 | 0.76 | KCNQ2 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL2391709 | 0.76 | KMT2A (0.47) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 | |
| Hydrogen Sulfide SCHEMBL28026603 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110655539-B | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2021-11-12 | — | — | CN | disclosed |
| WO-2020037109-A1 | PROCESSES FOR FLUORINATION | DOW AGROSCIENCES LLC (US) | 2020-02-20 | — | — | WO | disclosed |
| CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2020-01-07 | — | — | CN | disclosed |
| CN-1902241-B | Haloaluminoxane compositions, their preparation and their use in catalysis | ALBEMARLE CORP | 2011-03-30 | — | — | CN | disclosed |
| US-7326731-B2 | Muscarinic agonists | ELI LILLY AND COMPANY (US) | 2008-02-05 | — | — | US | disclosed |
| CN-1902241-A | Haloaluminoxane compositions, their preparation and their use in catalysis | ALBEMARLE CORP (US) | 2007-01-24 | — | — | CN | disclosed |
| EP-0682672-A1 | STEROIDS FOR TREATING MENOPAUSAL COMPLAINTS | Akzo Nobel N.V. (NL) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994018224-A1 | STEROIDS FOR TREATING MENOPAUSAL COMPLAINTS | AKZO NOBEL N.V. (NL) | 1994-08-18 | — | — | WO | disclosed |