Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15952484 | 0.87 | ESR1 (0.40) | TAAR1CYP2A6 | |
| SCHEMBL7008760 | 0.80 | TAAR1 (0.45) | TAAR1HTR2AEPHX2POLBCTDSP1 | |
| SCHEMBL17722492 | 0.78 | LPL (0.46) | NPC1RAB9AL3MBTL1 | |
| SCHEMBL24602755 | 0.78 | CYP1A2 (0.52) | TAAR1CYP2A6IDO1NPC1RAB9A | |
| SCHEMBL18969800 | 0.77 | TAAR1 (0.42) | TAAR1HTR2AEPHX2POLBCTDSP1 | |
| SCHEMBL13923732 | 0.76 | ESR1 (0.60) | TAAR1L3MBTL1 | |
| SCHEMBL3211356 | 0.76 | GFER (0.59) | TAAR1CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5488977 | 0.76 | TAAR1 (0.50) | TAAR1HTR2AEPHX2CYP2A6IDO1 | |
| SCHEMBL21925685 | 0.76 | CA2 (0.41) | EPHX2 | |
| SCHEMBL626076 | 0.76 | TAAR1 (0.68) | TAAR1HTR2APOLBCTDSP1CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018055316-A1 | COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-29 | — | — | WO | disclosed |