Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL3058088 | 0.86 | CYP2A6 (0.80) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL29358073 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL30685720 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL1293896 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL8953 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL1330659 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL8613802 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL1331142 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL1332240 | 0.85 | CYP2A6 (1.00) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| Naphthalene SCHEMBL4357918 | 0.82 | CYP2A6 (0.73) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0611754-A1 | Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same | NIPPON PAPER INDUSTRIES CO., LTD. (JP) | 1994-08-24 | — | — | EP | disclosed |