Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.36 |
| ▸ | CES1 | P23141 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 4/20 | 0.32 |
| ▸ | PPARD | Q03181 | 4/20 | 0.32 |
| ▸ | PPARA | Q07869 | 4/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9791638 | 0.85 | CES2 (0.36) | CES2CES1ALDH1A1TSHRAKR1B1 | |
| SCHEMBL1026963 | 0.85 | TSHR (0.48) | CES2CES1ALDH1A1TSHR | |
| SCHEMBL5278576 | 0.83 | TSHR (0.35) | TSHRNAAA | |
| SCHEMBL8718049 | 0.83 | ALDH1A1 (0.33) | CES1ALDH1A1TSHRATM | |
| SCHEMBL78640 | 0.83 | ALDH1A1 (0.44) | CES2CES1ALDH1A1TSHRAKR1B1 | |
| SCHEMBL28519695 | 0.81 | TSHR (0.33) | ALDH1A1TSHRMEN1KMT2AHSD17B10 | |
| SCHEMBL10430539 | 0.81 | MGAM (0.37) | CES2CES1ALDH1A1NAAADGKA | |
| SCHEMBL9716510 | 0.81 | NAAA (0.43) | CES2CES1ALDH1A1AKR1B1ATM | |
| SCHEMBL2808152 | 0.81 | DGKA (0.39) | CES2CES1ALDH1A1TSHRAKR1B1 | |
| SCHEMBL8857985 | 0.79 | ALDH1A1 (0.32) | CES2CES1ALDH1A1AKR1B1TP53 |
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-4895881-A | ANTIFOULING, POLYTETRAFLUOROETHYLENE, HALOGENATED HYDROCARBON, COPPER OR COMPOUND OF COPPER OR ZINC | EXTENSOR AB (SE) | 1990-01-23 | — | — | US | disclosed |
| US-4007258-A | Sustained release pesticidal composition | UNION CORPORATION (US) | 1977-02-08 | — | — | US | disclosed |