Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13347773 | 0.83 | CYP2A6 (0.59) | PKMCYP2A6CYP1A2MAPTRXFP1 | |
| SCHEMBL8237072 | 0.80 | AR (0.42) | PKMCYP2A6MAPTSMN1; SMN2NPC1 | |
| SCHEMBL13462475 | 0.80 | PDE3B (0.45) | PKMCYP2A6MAPTRXFP1SMN1; SMN2 | |
| SCHEMBL8404530 | 0.78 | CYP2A6 (0.52) | PKMCYP2A6CYP1A2MAPTRXFP1 | |
| SCHEMBL14525472 | 0.75 | CYP2A6 (0.48) | PKMCYP2A6CYP1A2RXFP1TSHR | |
| SCHEMBL2153696 | 0.74 | PDE3B (0.41) | CYP2A6MAPTRXFP1HSD17B10TSHR | |
| SCHEMBL17208935 | 0.73 | CYP2A6 (0.50) | CYP2A6CYP1A2MAPTRXFP1SMN1; SMN2 | |
| SCHEMBL2153698 | 0.72 | AR (0.45) | PKMSMN1; SMN2TSHRL3MBTL1PDE3B | |
| SCHEMBL15298755 | 0.72 | AR (0.59) | CYP2A6CYP1A2RXFP1KDM4EGAA | |
| SCHEMBL23797211 | 0.71 | L3MBTL1 (0.45) | MAPTRXFP1HSD17B10TSHRL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616460-B1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMA CO LTD (JP) | 2015-10-28 | — | — | EP | disclosed |