Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.68 |
| ▸ | FADS1 | O60427 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL145859 | 1.00 | CYP2A6 (0.68) | CYP2A6CYP1A2FADS1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL28112104 | 0.94 | CYP1A2 (0.61) | CYP2A6CYP1A2FADS1ALDH1A1HSD17B10 | |
| Methyl Alcohol SCHEMBL28240100 | 0.94 | CYP2A6 (0.61) | CYP2A6CYP1A2FADS1ALDH1A1HSD17B10 | |
| Acetone SCHEMBL28077025 | 0.90 | CYP2A6 (0.55) | CYP2A6CYP1A2ALDH1A1TDP1CYP1B1 | |
| Phenol SCHEMBL6410569 | 0.90 | CYP2A6 (0.55) | CYP2A6CYP1A2TSHRMAPTLMNA | |
| Dimethylformamide SCHEMBL28302419 | 0.86 | CYP2A6 (0.50) | CYP2A6CYP1A2FADS1CYP1B1MAPT | |
| Naphthalene SCHEMBL8141546 | 0.85 | CYP2A6 (0.94) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL1780245 | 0.83 | CYP1A2 (0.58) | CYP2A6CYP1A2FADS1ALDH1A1TSHR | |
| SCHEMBL30366567 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP1A2FADS1ALDH1A1HSD17B10 | |
| SCHEMBL6561452 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP1A2FADS1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0703281-B1 | Process for the manufacture of brominated, alkoxy substituted metal phthalocyanine | CIBA SC HOLDING AG (CH) | 2000-03-01 | — | — | EP | claimed |
| EP-0703281-A1 | Process for the manufacture of brominated, alkoxy substituted metal phthalocyanine | CIBA-GEIGY AG (CH) | 1996-03-27 | — | — | EP | claimed |
| US-4052221-A | CHLORINATED NAPTHALENE, PARATERPHENYL, SEMICONDUCTOR WAFER | WESTERN ELECTRIC COMPANY, INC. (US) | 1977-10-04 | — | — | US | disclosed |