Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL18417198 | 0.94 | TSHR (0.58) | NQO1TSHRCYP2C9TDP1LTA4H | |
| SCHEMBL19944241 | 0.84 | CYP2C9 (0.78) | TSHRCYP2C9KDM4EALDH1A1CA12 | |
| SCHEMBL19944345 | 0.83 | CYP2C9 (0.55) | NQO1TSHRCYP2C9TDP1ALDH1A1 | |
| SCHEMBL17171595 | 0.80 | LMNA (0.57) | TSHRCYP2C9LTA4HLMNA | |
| SCHEMBL31589519 | 0.79 | CYP2C9 (0.70) | TSHRCYP2C9KDM4EALDH1A1CA12 | |
| SCHEMBL19545885 | 0.79 | CYP2C9 (0.76) | TSHRCYP2C9KDM4EALDH1A1CA12 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.78 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HKDM4E | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.78 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL19944683 | 0.78 | LTA4H (0.57) | TSHRCYP2C9LTA4HSMN1; SMN2LMNA | |
| SCHEMBL19944268 | 0.77 | CYP2C9 (0.49) | TSHRCYP2C9ALDH1A1SMN1; SMN2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018041132-A1 | MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF | 广东东阳光药业有限公司 | 2018-03-08 | — | — | WO | disclosed |