Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29373274 | 0.94 | — | — | |
| SCHEMBL331198 | 0.94 | — | — | |
| SCHEMBL11330698 | 0.92 | TDP1 (0.44) | ACHECYP2A6CYP1A2TDP1LMNA | |
| Arsenic SCHEMBL27863102 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| SCHEMBL28693453 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| SCHEMBL30929155 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| Hydrochloric Acid SCHEMBL31606798 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| SCHEMBL1157705 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| SCHEMBL548060 | 0.92 | CYP2A6 (0.43) | ACHECYP2A6CYP1A2TDP1LMNA | |
| Bromide SCHEMBL27589361 | 0.89 | CYP2A6 (0.41) | ACHECYP2A6CYP1A2TDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101117445-B | Optical absorption pigment and optical absorption material | SUMITOMO SEIKA CHEMICALS | 2012-11-28 | — | — | CN | claimed |
| CN-101117445-B | Optical absorption pigment and optical absorption material | SUMITOMO SEIKA CHEMICALS | 2012-11-28 | — | — | CN | disclosed |