Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10617327 | 0.87 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL2313481 | 0.85 | MAOA (0.58) | MAOAMAOBTSHRHTTMAPK1 | |
| SCHEMBL498531 | 0.85 | NPC1 (0.45) | TSHRALDH1A1TDP1HTTL3MBTL1 | |
| SCHEMBL28891561 | 0.84 | F2R (0.41) | MAOAMAOBTSHRALDH1A1HTT | |
| SCHEMBL11853872 | 0.84 | GABRA1 (0.43) | MAOAMAOBTSHRALDH1A1TP53 | |
| SCHEMBL24385024 | 0.84 | ALDH1A1 (0.48) | MAOAMAOBTSHRALDH1A1TP53 | |
| SCHEMBL8444340 | 0.84 | CES2 (0.46) | TSHRALDH1A1TP53CES2CES1 | |
| SCHEMBL19940285 | 0.84 | MAPT (0.45) | MAOAMAOBTSHRALDH1A1TP53 | |
| SCHEMBL29712376 | 0.84 | MEN1 (0.37) | MAOAMAOBTSHRALDH1A1TP53 | |
| SCHEMBL27248328 | 0.84 | CES2 (0.46) | ALDH1A1TP53CES2CES1TDP1 |
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-0847988-B1 | Process for the preparation of N-hydrocarbyl-substituted amides | LUBRIZOL CORP (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-0945420-B1 | Process for the preparation of bisphenols | MITSUI CHEMICALS INC (JP) | 2002-06-12 | — | — | EP | disclosed |
| US-6316677-B1 | REACTING PHENOLIC COMPOUND WITH DIALKYLBENZENE, BIS(HYDROXYALKYL)BENZENE, OR (HYDROXYALKYL)-ALKENYLBENZENE; NEUTRALIZATION USING ANION EXCHANGE RESIN; CONCENTRATION, ISOLATION | MITSUI CHEMICALS, INC. (JP) | 2001-11-13 | — | — | US | disclosed |
| EP-0945420-A1 | Process for the preparation of bisphenols | Mitsui Chemicals, Inc. (JP) | 1999-09-29 | — | — | EP | disclosed |
| EP-0847988-A1 | Process for the preparation of N-hydrocarbyl-substituted amides | The Lubrizol Corporation (US) | 1998-06-17 | — | — | EP | disclosed |
| US-5712413-A | Process for the preparation of N-hydrocarbyl-substituted amides such as tert-butylacrylamide via the Ritter reaction using solid heteropolyacid catalysts | THE LUBRIZOL CORPORATION (US) | 1998-01-27 | — | — | US | disclosed |