Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL509665 | 0.89 | HSPB1 (0.56) | KCNJ1KCNH2TAAR1ALDH1A1NPC1 | |
| SCHEMBL17541809 | 0.89 | TSHR (0.46) | KCNJ1KCNH2ALDH1A1TSHRLOXL2 | |
| SCHEMBL11551629 | 0.88 | KCNJ1 (0.50) | KCNJ1KCNH2TAAR1ALDH1A1NPC1 | |
| SCHEMBL2440720 | 0.78 | CYP1A2 (0.47) | TAAR1ALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL12708608 | 0.78 | TSHR (0.48) | KCNJ1KCNH2ALDH1A1MAPTTSHR | |
| SCHEMBL4543334 | 0.78 | ESR1 (0.54) | TAAR1ALDH1A1KMT2ATP53TSHR | |
| SCHEMBL2441925 | 0.78 | ACHE (0.46) | KCNJ1KCNH2TAAR1ALDH1A1NPC1 | |
| SCHEMBL4087046 | 0.78 | GFER (0.54) | KCNJ1KCNH2ALDH1A1MAPTKMT2A | |
| SCHEMBL188308 | 0.78 | TSHR (0.64) | KCNJ1KCNH2ALDH1A1TSHRIDO1 | |
| SCHEMBL19396020 | 0.78 | TAAR1 (0.46) | KCNJ1KCNH2TAAR1ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3599246-A1 | MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-01-29 | — | — | EP | disclosed |
| EP-3350170-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017049069-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |
| US-5064819-A | Antidepressants, anxiolytic agents, GABA antagonists | CIBA-GEIGY CORPORATION (US) | 1991-11-12 | — | — | US | disclosed |