Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 SCHEMBL27256278 | 0.86 | ACHE (0.57) | ACHETDP1TP53HPGDADRB2 | |
| Toluene SCHEMBL4008030 | 0.83 | LMNA (0.55) | ACHETSHRALDH1A1TRPA1 | |
| Toluene SCHEMBL29085727 | 0.81 | LMNA (0.52) | ACHETSHRALDH1A1TRPA1 | |
| M-Xylene SCHEMBL11194440 | 0.79 | ACHE (0.71) | ACHETDP1TP53HPGDALDH1A1 | |
| M-Xylene SCHEMBL28720164 | 0.79 | ACHE (0.80) | ACHETSHRTDP1TP53HPGD | |
| Butanol SCHEMBL28098196 | 0.78 | TSHR (0.50) | TSHRALDH1A1TRPA1CYP1A2CYP3A4 | |
| SCHEMBL9157121 | 0.77 | ACHE (0.46) | ACHETDP1ADRB1CYP3A4CYP2D6 | |
| M-Xylene SCHEMBL10427453 | 0.76 | ACHE (0.86) | ACHETSHRTDP1TP53ALDH1A1 | |
| M-Xylene SCHEMBL11786968 | 0.76 | ACHE (0.86) | ACHETSHRTDP1TP53ALDH1A1 | |
| SCHEMBL875416 | 0.76 | LMNA (0.59) | ACHETSHRADRB2ADRB1HTT |
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-103189076-A | Deodorant composition for sulfides | TAKASAGO PERFUMERY CO LTD | 2013-07-03 | — | — | CN | disclosed |