Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| M-Xylene SCHEMBL4808897 | 0.93 | ACHE (0.55) | ACHEALDH1A1CYP2D6IDO1MAPK1 | |
| M-Xylene SCHEMBL29016502 | 0.86 | ACHE (0.52) | ACHEALDH1A1CYP2D6IDO1MAPK1 | |
| M-Xylene SCHEMBL15876050 | 0.84 | ACHE (0.63) | ACHEALDH1A1CYP2D6IDO1MAPK1 | |
| M-Xylene SCHEMBL27490026 | 0.83 | ACHE (0.80) | ACHEALDH1A1CYP2D6IDO1MAPK1 | |
| M-Xylene SCHEMBL10862586 | 0.83 | — | — | |
| SCHEMBL12463 | 0.83 | ACHE (0.57) | ACHEALDH1A1CYP2D6MAPK1CYP1A2 | |
| Toluene SCHEMBL4761329 | 0.81 | TSHR (0.61) | ACHEMAPK1 | |
| SCHEMBL10204841 | 0.80 | TAAR1 (0.59) | ACHEALDH1A1CYP2D6IDO1TAAR1 | |
| SCHEMBL8299779 | 0.80 | IDO1 (0.56) | ACHEALDH1A1CYP2D6IDO1TAAR1 | |
| M-Xylene SCHEMBL28189 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0838537-B1 | METAL SURFACE TREATMENTS, METHOD FOR TREATING METAL SURFACE, AND SURFACE-TREATED METALLIC MATERIAL | NIPPON PAINT CO LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| EP-0838537-A1 | METAL SURFACE TREATMENTS, METHOD FOR TREATING METAL SURFACE, AND SURFACE-TREATED METALLIC MATERIAL | NIPPON PAINT CO., LTD. (JP) | 1998-04-29 | — | — | EP | disclosed |