Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11322655 | 0.87 | DAO (0.42) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| SCHEMBL6129991 | 0.87 | DAO (0.42) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| Ammonia Solution, Strong SCHEMBL10912218 | 0.85 | DAO (0.41) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| SCHEMBL10857348 | 0.83 | DAO (0.40) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| SCHEMBL11179089 | 0.82 | DAO (0.39) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL11323936 | 0.82 | L3MBTL1 (0.40) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| SCHEMBL2397846 | 0.81 | — | — | |
| SCHEMBL891370 | 0.81 | — | — | |
| SCHEMBL13610495 | 0.79 | DAO (0.40) | DAOHSP90AA1CYP1A2HDAC3HDAC1 | |
| SCHEMBL6129995 | 0.79 | ALDH1A1 (0.52) | DAOCYP1A2KDM4ERAB9AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4105661-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1978-08-08 | — | — | US | claimed |
| CN-113527789-A | Aromatic polyethylene optical cable sheath material for vehicles and preparation method thereof | 江阴爱科森博顿聚合体有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |