Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.63 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.63 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.62 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | AGXT | P21549 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27530402 | 0.95 | CHRM2 (0.61) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL4480826 | 0.93 | CHRM2 (0.59) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL177862 | 0.89 | TAAR1 (0.67) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL30169530 | 0.89 | TAAR1 (0.67) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL21002162 | 0.88 | TAAR1 (0.71) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL21002016 | 0.88 | TAAR1 (0.71) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL29986862 | 0.88 | TAAR1 (0.71) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL20913240 | 0.87 | TAAR1 (0.65) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL21002124 | 0.86 | TAAR1 (0.69) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL723511 | 0.84 | TAAR1 (0.77) | CHRM2CHRM1CHRM3TAAR1SIGMAR1 |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024240155-A1 | DIKETONE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州大学 | 2024-11-28 | — | — | WO | disclosed |
| CN-118994100-A | Diketone compound and preparation method and application thereof | 苏州大学 | 2024-11-22 | — | — | CN | disclosed |
| WO-2024145659-A1 | HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR | INTRA-CELLULAR THERAPIES, INC. (US) | 2024-07-04 | — | — | WO | disclosed |
| EP-3030555-B1 | NOVEL PYRAZINE AMIDE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2019-01-30 | — | — | EP | disclosed |
| EP-3030555-A1 | NOVEL PYRAZINE AMIDE COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2016-06-15 | — | — | EP | disclosed |
| EP-2168944-B1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORP (JP) | 2016-05-11 | — | — | EP | disclosed |
| US-9096548-B2 | Pyrazine amide compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-9023852-B2 | 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases | REMYND NV (BE) | 2015-05-05 | — | — | US | disclosed |
| EP-2726470-B1 | 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | REMYND NV (BE) | 2015-04-29 | — | — | EP | disclosed |
| WO-2015018754-A1 | NOVEL PYRAZINE AMIDE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-12 | — | — | WO | disclosed |
| EP-0233762-B1 | USE OF AROMATIC DIAMINES FOR THE TREATMENT OF ANGINA PECTORIS, AND DIAMINES THEREFOR | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1992-08-19 | — | — | EP | disclosed |
| CN-1039415-A | New 1, the preparation method of 3-3-disubstituted piperidine derivatives | PFIZER (GB) | 1990-02-07 | — | — | CN | disclosed |
| EP-0233762-A2 | Use of aromatic diamines for the treatment of angina pectoris, and diamines therefor | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1987-08-26 | — | — | EP | disclosed |
| EP-0054756-B1 | ANTIBACTERIAL BENZYLPYRIMIDINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-07-23 | — | — | EP | disclosed |
| EP-0054756-A2 | Antibacterial benzylpyrimidines | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-06-30 | — | — | EP | disclosed |
| US-4257952-A | PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES | STERLING DRUG INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4172834-A | ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS | STERLING DRUG INC. (US) | 1979-10-30 | — | — | US | disclosed |
| US-4062864-A | ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE | STERLING DRUG INC. (US) | 1977-12-13 | — | — | US | disclosed |
| US-3987200-A | INOTROPIC AGENTS, 3,4-DIHYDROXY-PHENYL-ALKYL PHENETHYLAMINE | ELI LILLY AND COMPANY (US) | 1976-10-19 | — | — | US | disclosed |
| US-3959309-A | ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE | STERLING DRUG INC. (US) | 1976-05-25 | — | — | US | disclosed |