Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | IAPP | P10997 | 4/20 | 0.46 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14614108 | 0.81 | CYP4F2 (0.44) | IAPPTSHR | |
| SCHEMBL668441 | 0.81 | AKR1B1 (0.61) | TAAR1AKR1B1HSPA5MPOCYP2D6 | |
| SCHEMBL2441467 | 0.80 | NOTUM (0.48) | TAAR1NPC1RAB9A | |
| SCHEMBL9651251 | 0.79 | IAPP (0.37) | IAPPTSHR | |
| SCHEMBL32689405 | 0.79 | GPR52 (0.60) | TAAR1AKR1B1IAPPHSPA5NPC1 | |
| SCHEMBL11751573 | 0.78 | IAPP (0.59) | TAAR1AKR1B1IAPPHSPA5NPC1 | |
| SCHEMBL14191351 | 0.77 | NFKB1 (0.58) | IAPPNPC1RAB9A | |
| SCHEMBL27405468 | 0.77 | PTGER4 (0.54) | RAB9A | |
| SCHEMBL35529 | 0.76 | AKR1B1 (0.65) | TAAR1AKR1B1IAPPHSPA5NPC1 | |
| SCHEMBL29373796 | 0.76 | AKR1B1 (0.65) | TAAR1AKR1B1IAPPHSPA5NPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160198747-A1 | 1H-PYRROLE-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2016-07-14 | — | — | US | claimed |
| EP-2847318-A1 | PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES | Marrone Bio Innovations, Inc. (US) | 2015-03-18 | — | — | EP | claimed |
| EP-2832233-A1 | 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents | IMAX Discovery GmbH (DE) | 2015-02-04 | — | — | EP | claimed |
| EP-2832234-A1 | Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents | IMAX Discovery GmbH (DE) | 2015-02-04 | — | — | EP | claimed |
| WO-2013138398-A1 | PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES | MARRONE BIO INNOVATIONS, INC. (US) | 2013-09-19 | — | — | WO | claimed |
| WO-2013135511-A1 | N-(2,4-DIMETHYLPENTAN-3-YL)-METHYLBENZAMIDES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2013-09-19 | — | — | WO | claimed |
| US-20160198747-A1 | 1H-PYRROLE-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2016-07-14 | — | — | US | disclosed |
| EP-2832233-A1 | 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents | IMAX Discovery GmbH (DE) | 2015-02-04 | — | — | EP | disclosed |
| EP-2832234-A1 | Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents | IMAX Discovery GmbH (DE) | 2015-02-04 | — | — | EP | disclosed |
| WO-2013135511-A1 | N-(2,4-DIMETHYLPENTAN-3-YL)-METHYLBENZAMIDES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2013-09-19 | — | — | WO | disclosed |
| EP-0630891-A1 | 3-Isothiazolones derivatives and their use as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5321141-A | Reacting an isothiazole with an a,b-unsaturated ketone or aldehyde | ROHM AND HAAS COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| US-5288693-A | Microbiocides | ROHM AND HAAS COMPANY (US) | 1994-02-22 | — | — | US | disclosed |