Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4138564 | 0.88 | DHFR (0.44) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL26750936 | 0.86 | DHFR (0.43) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL26750829 | 0.82 | DHFR (0.41) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL1455734 | 0.79 | DHFR (0.53) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL28112434 | 0.78 | HPRT1 (0.42) | DHFRCYP2A6ALDH1A1TSHRKDM4E | |
| SCHEMBL29892469 | 0.77 | ALDH1A1 (0.48) | CYP2A6ALDH1A1TSHRCYP1A2KDM4E | |
| SCHEMBL27263879 | 0.76 | ALDH1A1 (0.53) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL15856404 | 0.76 | CYP2A6 (0.58) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL24254765 | 0.76 | AKR1C3 (0.39) | DHFRCYP2A6ALDH1A1TSHRKDM4E | |
| SCHEMBL15856479 | 0.76 | ALDH1A1 (0.52) | DHFRCYP2A6ALDH1A1TSHRCYP1A2 |
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-106146454-B | The method that Negishi couplings prepare polyfluoro biaryl hydrocarbon compound | 陕西师范大学 | 2018-08-24 | — | — | CN | disclosed |