Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286650 | 0.97 | CES2 (0.48) | CES2CES1CA1CA2CA12 | |
| SCHEMBL11880655 | 0.94 | CES2 (0.46) | CES2CES1CA1CA2CA12 | |
| SCHEMBL28597958 | 0.94 | CES2 (0.46) | CES2CES1CA1CA2CA12 | |
| Ethylene SCHEMBL1366416 | 0.91 | CES2 (0.43) | CES2CES1CA1CA2CA12 | |
| SCHEMBL27500596 | 0.89 | TSHR (0.60) | CES2CES1CA1CA2CA12 | |
| SCHEMBL248548 | 0.88 | CES2 (0.62) | CES2CES1CA1CA2NPC1 | |
| Cyclopropane SCHEMBL18860160 | 0.88 | KDM4E (0.42) | CES2CES1CA1CA2CA12 | |
| SCHEMBL3876168 | 0.88 | BCL2L1 (0.52) | CES2CES1CA1CA2CA12 | |
| SCHEMBL247945 | 0.86 | CA1 (0.62) | CES2CA1CA2CA12CA7 | |
| SCHEMBL1286652 | 0.86 | TSHR (0.63) | CES2CES1CA1CA2CA12 |
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-116829611-A | Reduction of monomeric isocyanates by porous materials | 巴斯夫欧洲公司 | 2023-09-29 | — | — | CN | disclosed |