Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL20598471 | 0.91 | TSHR (0.88) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL4605492 | 0.91 | TSHR (0.88) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL27787318 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL11353823 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL1332097 | 0.91 | — | — | |
| Benzyl Alcohol SCHEMBL433990 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL9066990 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL147 | 0.91 | — | — | |
| Benzyl Alcohol SCHEMBL27703677 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 | |
| Benzyl Alcohol SCHEMBL11680991 | 0.91 | TSHR (1.00) | TSHRLTA4HTDP1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109912683-A | Cytotoxin molecule, conjugate, preparation method and application thereof | 杭州多禧生物科技有限公司 | 2019-06-21 | — | — | CN | disclosed |