Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8030768 | 0.84 | NFE2L2 (0.41) | CYP1A1CYP1B1MAPTCYP19A1KDM4E | |
| SCHEMBL11209683 | 0.84 | NFE2L2 (0.41) | CYP1A1CYP1B1MAPTCYP19A1KDM4E | |
| SCHEMBL10564377 | 0.76 | CA12 (0.48) | CYP1A1CYP1B1MAPTALDH1A1HPGD | |
| SCHEMBL6297073 | 0.76 | CA12 (0.48) | CYP1A1CYP1B1MAPTALDH1A1HPGD | |
| SCHEMBL9671799 | 0.76 | ALDH1A1 (0.33) | MAPTCYP19A1KDM4EALDH1A1LMNA | |
| SCHEMBL11409076 | 0.76 | CA12 (0.48) | CYP1A1CYP1B1MAPTALDH1A1HPGD | |
| SCHEMBL6293396 | 0.75 | IMPDH2 (0.46) | MAPTALDH1A1LMNAHPGDHTT | |
| SCHEMBL7895991 | 0.75 | NFE2L2 (0.46) | CYP1A1CYP1B1MAPTCYP19A1KDM4E | |
| SCHEMBL2687596 | 0.73 | CA1 (0.46) | TDP1ABCG2ALDH1A1MAPK1HTT | |
| Hydrochloric Acid SCHEMBL11678337 | 0.73 | NFE2L2 (0.45) | CYP1A1CYP1B1MAPTCYP19A1KDM4E |
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-106045836-B | A kind of method of copper catalysis synthesis aromatic hydrocarbons or heterocycle trifluoromethyl ketone | 福州大学 | 2018-04-13 | — | — | CN | disclosed |