Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL29388184 | 0.93 | ERN1 (0.57) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL342278 | 0.93 | ERN1 (0.57) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL11483755 | 0.91 | ERN1 (0.50) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL9883837 | 0.90 | ERN1 (0.48) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL4893713 | 0.89 | ERN1 (0.50) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| Methyl Alcohol SCHEMBL27670101 | 0.86 | ERN1 (0.57) | ERN1ALDH1A1HSD17B10CYP1A2MAPT | |
| SCHEMBL10348819 | 0.86 | ERN1 (0.56) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL985197 | 0.84 | ERN1 (0.46) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL30662748 | 0.83 | ERN1 (0.47) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL548345 | 0.83 | ERN1 (0.47) | ERN1ALDH1A1HSD17B10HIF1ACYP1B1 |
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 12 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 |
| 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 |