Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SLC25A5 | P05141 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 SCHEMBL27269348 | 0.85 | ACHE (0.63) | ACHESLC25A5HPGDTDP1SMN1; SMN2 | |
| Toluene SCHEMBL27263597 | 0.85 | ACHE (0.63) | ACHESLC25A5HPGDTDP1SMN1; SMN2 | |
| SCHEMBL3127902 | 0.83 | CTBP2 (0.51) | ACHE | |
| P-Xylene SCHEMBL11050370 | 0.82 | ACHE (0.77) | ACHEATMSLC25A5HPGDTDP1 | |
| Methyl Isobutyl Ketone SCHEMBL10487290 | 0.79 | ACHE (0.56) | ACHESLC25A5HPGDTDP1SMN1; SMN2 | |
| SCHEMBL12960171 | 0.79 | PARP1 (0.53) | PARP1ATMHPGDTDP1SMN1; SMN2 | |
| O-Xylene SCHEMBL10819029 | 0.78 | ACHE (0.55) | ACHESLC25A5HPGDTDP1SMN1; SMN2 | |
| Methyl Alcohol SCHEMBL9172327 | 0.78 | CYP2A6 (0.57) | ACHESLC25A5TDP1SMN1; SMN2LMNA | |
| Toluene SCHEMBL9504618 | 0.77 | ACHE (0.54) | ACHESLC25A5HPGDTDP1SMN1; SMN2 | |
| Toluene SCHEMBL28077055 | 0.77 | ACHE (0.54) | ACHESLC25A5HPGDTDP1SMN1; SMN2 |
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-4485197-A | CONTAINING TRIORGANOTIN UNSATURATED CARBOXYLATE AND HYDROXY UNSATURATED ESTER | NIPPON PAINT CO., LTD. (JP) | 1984-11-27 | — | — | US | disclosed |