Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL1420897 | 0.90 | MAPT (0.53) | CYP2A6ALDH1A1KDM4ERAB9AKIF11 | |
| SCHEMBL4966619 | 0.82 | PARP10 (0.46) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL1784133 | 0.81 | MAOA (0.62) | ALDH1A1KDM4ERAB9AKIF11HSD17B10 | |
| SCHEMBL9754623 | 0.81 | CYP2A6 (0.65) | CYP2A6ALDH1A1KDM4ETDP1HSD17B10 | |
| SCHEMBL6856438 | 0.81 | CYP2A6 (0.45) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL11337638 | 0.80 | CDK9 (0.46) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL29826652 | 0.80 | KDM4E (0.44) | CYP2A6ALDH1A1KDM4ERAB9APTGS2 | |
| SCHEMBL28086844 | 0.80 | ALDH1A1 (0.48) | CYP2A6ALDH1A1KDM4ERAB9APTGS2 | |
| SCHEMBL28950337 | 0.80 | KDM4E (0.44) | CYP2A6ALDH1A1KDM4ERAB9APTGS2 | |
| SCHEMBL13242794 | 0.80 | ALDH1A1 (0.38) | CYP2A6ALDH1A1KDM4ERAB9AKIF11 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730140-B1 | OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-06-25 | — | — | EP | disclosed |
| US-5807974-A | POLYARYLENEVINYLENE RESIN | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1998-09-15 | — | — | US | disclosed |
| EP-0041675-B1 | 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-11 | — | — | EP | disclosed |
| US-4371607-A | 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-02-01 | — | — | US | disclosed |
| EP-0041675-A2 | 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-12-16 | — | — | EP | disclosed |
| US-4017313-A | Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-04-12 | — | — | US | disclosed |