Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
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 SCHEMBL10706759 | 0.87 | CYP2A6 (0.57) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL5068227 | 0.84 | CYP2A6 (0.44) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL11513081 | 0.81 | CYP2A6 (0.43) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL7171738 | 0.79 | CYP2A6 (0.54) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL5713429 | 0.79 | CYP2A6 (0.64) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL29352043 | 0.79 | CYP2A6 (0.64) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL2833889 | 0.79 | CYP2A6 (0.64) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL7703 | 0.79 | CYP2A6 (0.64) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL23527413 | 0.77 | TLR8 (0.42) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 | |
| Phenanthrene SCHEMBL8740442 | 0.77 | ALDH1A1 (0.67) | CYP2A6TDP1ALDH1A1CYP3A4HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3944332-A | Optical sensitization and development of liquid crystalline devices | XEROX CORPORATION (US) | 1976-03-16 | — | — | US | claimed |
| CN-109906238-A | Copolymer rubber and its manufacturing method and crosslinked rubber composition | 日铁化学材料株式会社 | 2019-06-18 | — | — | CN | disclosed |
| US-6576806-B1 | Process for separating C2-C3 olefins from industrial gases | SHELL OIL COMPANY | 2003-06-10 | — | — | US | disclosed |