Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.39 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL156765 | 0.98 | AKR1B1 (0.55) | AKR1B1TDP1BCAT2SRCCXCL8 | |
| Hydrochloric Acid SCHEMBL10627468 | 0.96 | AKR1B1 (0.53) | AKR1B1TDP1BCAT2SRCCXCL8 | |
| SCHEMBL27976060 | 0.96 | AKR1B1 (0.53) | AKR1B1TDP1BCAT2SRCCXCL8 | |
| SCHEMBL4443824 | 0.84 | ALDH1A1 (0.40) | AKR1B1TDP1MAPTCYP2C19 | |
| SCHEMBL27301265 | 0.81 | AKR1B1 (0.37) | AKR1B1TDP1MAPTCYP2C9CYP2C19 | |
| SCHEMBL2136288 | 0.81 | ALDH1A1 (0.38) | AKR1B1 | |
| SCHEMBL10864725 | 0.81 | L3MBTL1 (0.45) | AKR1B1CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL115054 | 0.80 | SRC (0.58) | AKR1B1TDP1BCAT2SRCCXCL8 | |
| SCHEMBL2962206 | 0.79 | KEAP1 (0.48) | KDM4EMAPTADRA1AHPGD | |
| Bicarbonate SCHEMBL7120281 | 0.78 | GABRA1 (0.40) | AKR1B1MAPTCYP2C9CYP2C19 |
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-112652772-B | Adhesive, preparation method thereof, negative electrode containing adhesive and lithium ion battery | 桂林电器科学研究院有限公司 | 2022-05-06 | — | — | CN | claimed |