Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7079985 | 0.85 | TDP1 (0.58) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL29951221 | 0.82 | ALDH1A1 (0.60) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL415792 | 0.82 | ALDH1A1 (0.60) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL14641737 | 0.82 | TDP1 (0.69) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL11002560 | 0.81 | TSHR (0.50) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL16268314 | 0.79 | ALDH1A1 (0.44) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL2148842 | 0.79 | GPR35 (0.60) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL21436326 | 0.79 | ALDH1A1 (0.49) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL2881654 | 0.79 | ALDH1A1 (0.45) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL715298 | 0.79 | TDP1 (0.64) | TDP1TSHRSMN1; SMN2KMT2AALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021127301-A1 | 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS | Ikena Oncology, Inc. (US) | 2021-06-24 | — | — | WO | disclosed |
| EP-3102194-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | Quadriga Biosciences, Inc. (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015117146-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. (US) | 2015-08-06 | — | — | WO | disclosed |
| CN-101585773-B | Method for preparing N, N- dipropyl-2-(2-methyl-3-nitro)- ethylammonium chloride | JIANGSU KAIYUAN PHARMACEUTICAL CHEMICAL INDUSTRY CO LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-101585773-A | Method for preparing N-(2-methyl-3-nitro)-N-propyl-1-propylamin hydrochloride | JIANGSU KAIYUAN PHARMACEUTICAL (CN) | 2009-11-25 | — | — | CN | disclosed |
| CN-1286810-C | 2-acyl indol derivatives and their use as anti-tumour agents | BAKST HEALTH AG (CH) | 2006-11-29 | — | — | CN | disclosed |
| EP-1339683-A4 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2005-07-27 | — | — | EP | disclosed |
| EP-1339683-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-09-03 | — | — | EP | disclosed |
| CN-1431997-A | 2-acylindole derivatives and their use as antitumor agents | BAKST HEALTH AG (CH) | 2003-07-23 | — | — | CN | disclosed |
| WO-2002041835-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-05-30 | — | — | WO | disclosed |