Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL6431364 | 0.97 | ACHE (0.61) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL28143362 | 0.81 | TSHR (0.61) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL719989 | 0.81 | ACHE (0.61) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL28545295 | 0.80 | ACHE (0.92) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL3837578 | 0.80 | — | — | |
| Toluene SCHEMBL28195607 | 0.80 | ACHE (0.92) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL7309310 | 0.79 | TSHR (0.58) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL11594422 | 0.79 | TSHR (0.58) | ACHETSHRLMNAALOX12MAPK1 | |
| Biphenyl SCHEMBL1193167 | 0.78 | ALDH1A1 (0.53) | TSHRLMNAMAPK1ALDH1A1ALOX15 | |
| Toluene SCHEMBL7645369 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7030063-B1 | Cyclohexenonquinolinoyl-derivatives as herbicidal agents | BASF AKTIENGESELLSCHAFT (DE) | 2006-04-18 | — | — | US | disclosed |