Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 2/20 | 0.44 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29186227 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10823820 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL354059 | 0.83 | SLC6A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL108101 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2661346 | 0.78 | SLC6A4 (0.53) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11217449 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7898797 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1599758 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL108228 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18626121 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696301-A | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-12-09 | — | — | US | claimed |
| EP-0786446-A1 | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-07-30 | — | — | EP | claimed |
| JP-9263563-A | — | — | None | — | — | JP | disclosed |
| JP-9263562-A | — | — | None | — | — | JP | disclosed |
| EP-1242075-A4 | INDOLE COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1242075-A2 | INDOLE COMPOUNDS | SmithKline Beecham Corporation (US) | 2002-09-25 | — | — | EP | disclosed |
| CN-1070835-C | Method for preparation of protocatechuic aldehyde | UBE INDUSTRIES (JP) | 2001-09-12 | — | — | CN | disclosed |
| WO-2001030752-A2 | INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-03 | — | — | WO | disclosed |
| US-5856509-A | HYPOTENSIVE AGENTS | ROUSSEL UCLAF (FR) | 1999-01-05 | — | — | US | disclosed |
| US-5696301-A | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-12-09 | — | — | US | disclosed |
| US-5696301-A | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-12-09 | — | — | US | disclosed |
| EP-0786446-A1 | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |
| EP-0786446-A1 | Process for preparing protocatechualdehyde | UBE INDUSTRIES, LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |
| US-5126461-A | Silica in organic solution | SHELL RESEARCH LIMITED (GB) | 1992-06-30 | — | — | US | disclosed |
| EP-0432818-A2 | Process for opening cyclopropane rings | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |
| US-4849420-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1989-07-18 | — | — | US | disclosed |
| EP-0006978-B1 | BENZYL ESTERS WITH FLUORINATED ETHER AND/OR THIOETHER GROUPS, THEIR PREPARATIONS AND THEIR USE AS INSECTICIDES; INTERMEDIATE PRODUCTS AND THEIR PREPARATIONS | BAYER AG (DE) | 1986-01-29 | — | — | EP | disclosed |
| EP-0041131-B1 | PREPARATION OF FLUORO-SUBSTITUTED BENZODIOXOLES AND BENZODIOXANES | BAYER AG (DE) | 1984-06-13 | — | — | EP | disclosed |
| EP-0041131-A2 | Preparation of fluoro-substituted benzodioxoles and benzodioxanes | BAYER AG (DE) | 1981-12-09 | — | — | EP | disclosed |
| EP-0006978-A2 | Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations | BAYER AG (DE) | 1980-01-23 | — | — | EP | disclosed |