Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.93 |
| ▸ | MEN1 | O00255 | 3/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.93 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.93 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.93 |
| ▸ | TSHR | P16473 | 1/20 | 0.93 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.93 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | HTR2A | P28223 | 3/20 | 0.65 |
| ▸ | HTR2C | P28335 | 3/20 | 0.65 |
| ▸ | HTR2B | P41595 | 3/20 | 0.65 |
| ▸ | HTR1A | P08908 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | AHR | P35869 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Gramine SCHEMBL63578 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| Gramine SCHEMBL29351803 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| Gramine SCHEMBL9058128 | 0.95 | ALDH1A1 (0.96) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| Gramine SCHEMBL8704815 | 0.88 | ALDH1A1 (0.72) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| Gramine SCHEMBL20906415 | 0.84 | ALDH1A1 (0.77) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| SCHEMBL947574 | 0.81 | KMT2A (0.73) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| SCHEMBL22619123 | 0.81 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| N,N-Dimethyltryptamine SCHEMBL335710 | 0.79 | HTR2A (1.00) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| SCHEMBL1027348 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| N,N-Dimethyltryptamine SCHEMBL29350959 | 0.79 | HTR2A (1.00) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012117216-A1 | N- (ARYLALKYL) - 1H- INDOLE- 2 - SULFONIC ACID AMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AS CANNABINOID ALLOSTERIC MODULATORS | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2012-09-07 | — | — | WO | disclosed |
| US-5846942-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| US-5593967-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| US-5340802-A | Central nervous system disorders | ABBOTT LABORATORIES (US) | 1994-08-23 | — | — | US | disclosed |
| EP-0547178-A4 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER LAMBERT CO (US) | 1994-07-06 | — | — | EP | disclosed |
| EP-0547178-A1 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER-LAMBERT COMPANY (US) | 1993-06-23 | — | — | EP | disclosed |
| EP-0167919-B1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5175159-A | Prevention of premature labor | MERCK & CO., INC. (US) | 1992-12-29 | — | — | US | disclosed |
| WO-1992004045-A1 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER-LAMBERT COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |
| EP-0421802-A2 | 3-substituted-1,4-benzodiazepines useful as oxytocin antagonists | MERCK & CO. INC. (US) | 1991-04-10 | — | — | EP | disclosed |
| EP-0167919-A2 | Benzodiazepine derivatives and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-01-15 | — | — | EP | disclosed |
| EP-0008657-B1 | ALPHA-VINYL-ALPHA-AMINOACIDS AND THEIR ESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1983-03-30 | — | — | EP | disclosed |
| EP-0008658-B1 | ALPHA-ETHINYL-ALPHA-AMINOACIDS AND THEIR ESTERS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-12-01 | — | — | EP | disclosed |
| US-4347375-A | Process for preparing amino acids and esters | MERCK & CO., INC. (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0007615-B1 | PROCESS FOR PREPARING AMINO ACIDS AND ESTERS | MERCK & CO. INC. (US) | 1982-06-16 | — | — | EP | disclosed |
| US-4275220-A | N-(BENZYLIDENE OR ALKYLIDENE)-2-AMINOCROTONATE CHEMICAL INTERMEDIATE | MERCK & CO., INC. (US) | 1981-06-23 | — | — | US | disclosed |
| EP-0008658-A1 | Alpha-ethinyl-alpha-aminoacids and their esters, and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-03-19 | — | — | EP | disclosed |
| EP-0008657-A1 | Alpha-vinyl-alpha-aminoacids and their esters and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-03-19 | — | — | EP | disclosed |
| EP-0007615-A2 | Process for preparing amino acids and esters | MERCK & CO. INC. (US) | 1980-02-06 | — | — | EP | disclosed |
| US-4065464-A | Process for the preparation of substituted trichloroacetamidine derivatives | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |