Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28225282 | 0.92 | GABRA1 (0.42) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28329970 | 0.92 | GABRA1 (0.48) | CA12CA1CA2GLACA3 | |
| Isobutylbenzene SCHEMBL28090069 | 0.89 | TAAR1 (0.52) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28108806 | 0.84 | GABRA1 (0.44) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL808474 | 0.82 | GAA (0.50) | CA1CA2TDP1LMNACYP2C9 | |
| SCHEMBL4968027 | 0.81 | GABRA1 (0.48) | GLAGABRA1GABRB2OPRM1OPRK1 | |
| Phenol SCHEMBL28301641 | 0.81 | GABRA1 (0.61) | CA12CA1CA2GLACA3 | |
| Isobutylbenzene SCHEMBL363626 | 0.79 | TAAR1 (0.61) | TAAR1SLC6A2PTGS1PTGS2LMNA | |
| SCHEMBL5164582 | 0.78 | GABRA1 (0.42) | GABRA1GABRB2OPRM1TAAR1SLC6A2 | |
| SCHEMBL647401 | 0.78 | OPRM1 (0.54) | GABRA1GABRB2OPRM1OPRD1OPRK1 |
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-106029773-A | Novel antiagglomerating agents for the production of polyisobutenes | 巴斯夫东南亚有限公司 | 2016-10-12 | — | — | CN | disclosed |