Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.40 |
| ▸ | THRA | P10827 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 4/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28142316 | 0.76 | GABRA1 (0.59) | FABP3FABP4THRATHRBGABRA1 | |
| SCHEMBL4319072 | 0.75 | GABRA1 (0.63) | FABP3FABP4THRATHRBGABRA1 | |
| SCHEMBL16104797 | 0.74 | TPMT (0.48) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL29054130 | 0.74 | FABP3 (0.45) | FABP3FABP4ACE2THRATHRB | |
| SCHEMBL1711083 | 0.73 | FABP4 (0.47) | FABP3FABP4GABRA1HSP90AB1CA1 | |
| SCHEMBL13989031 | 0.72 | SLC22A8 (0.34) | FABP3FABP4ACE2THRATHRB | |
| SCHEMBL22882559 | 0.71 | CA12 (0.41) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL9988559 | 0.71 | KMT2A (0.50) | FABP3FABP4ACE2THRATHRB | |
| SCHEMBL15524731 | 0.71 | CA1 (0.61) | FABP3FABP4THRATHRBGABRA1 | |
| SCHEMBL3636717 | 0.71 | TPMT (0.50) | FABP3FABP4ACE2THRATHRB |
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-108117522-A | A kind of synthetic method of dicarboxylic acids imidazole salts | 遵义医学院 | 2018-06-05 | — | — | CN | disclosed |