Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | DBH | P09172 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27865185 | 1.00 | TDP1 (0.52) | TDP1CA12CA1CA2GLA | |
| Benzene SCHEMBL11037142 | 0.82 | ITGB2 (0.40) | CA1CA9KMT2AITGB2ICAM1 | |
| Biphenyl SCHEMBL28053336 | 0.80 | ALDH1A1 (0.47) | KMT2AITGB2ICAM1ITGALLMNA | |
| Phenol SCHEMBL1696496 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL28190193 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL10524954 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL9542177 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL978674 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL37047 | 0.76 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Toluene SCHEMBL6404501 | 0.76 | LMNA (0.52) | KMT2AITGB2ICAM1ITGALCES2 |
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-115819190-A | Preparation method of light-colored aromatic diol chain extender | 江苏湘园化工有限公司 | 2023-03-21 | — | — | CN | disclosed |