Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29913753 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HSD17B10HIF1ACYP1B1KIF11 | |
| SCHEMBL5618062 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HSD17B10HIF1ACYP1B1KIF11 | |
| SCHEMBL27456577 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1KIF11 | |
| SCHEMBL10484075 | 0.86 | HPRT1 (0.56) | ALDH1A1HSD17B10HIF1ACYP1B1KIF11 | |
| SCHEMBL29875246 | 0.86 | RELA (0.50) | ALDH1A1HSD17B10HIF1AKIF11RAB9A | |
| SCHEMBL27834609 | 0.86 | RELA (0.50) | ALDH1A1HSD17B10HIF1AKIF11RAB9A | |
| SCHEMBL548711 | 0.86 | RELA (0.50) | ALDH1A1HSD17B10HIF1AKIF11RAB9A | |
| SCHEMBL641430 | 0.86 | RELA (0.50) | ALDH1A1HSD17B10HIF1AKIF11RAB9A | |
| SCHEMBL9127399 | 0.85 | CYP2A6 (0.48) | ALDH1A1HSD17B10KIF11RAB9AKDM4E | |
| SCHEMBL9798242 | 0.84 | CYP2A6 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1KIF11 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182609-B1 | POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4882358-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-11-21 | — | — | US | disclosed |
| US-4827034-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-02 | — | — | US | disclosed |
| US-4818443-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-04 | — | — | US | disclosed |
| US-4814502-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-21 | — | — | US | disclosed |
| US-4810823-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4808753-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4791233-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791231-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791232-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0182609-A2 | Polycyclic biocidal compounds, their synthesis, formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |