Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLQ | O75417 | 2/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | TACR3 | P29371 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12435510 | 0.85 | TACR1 (0.54) | TACR1P2RX1TACR2TP53CES2 | |
| SCHEMBL12436257 | 0.80 | TACR1 (0.46) | TACR1P2RX1TP53CES2MAPT | |
| SCHEMBL11006983 | 0.78 | TACR1 (0.57) | TACR1P2RX1TACR2CES2MAPT | |
| SCHEMBL12436182 | 0.78 | NOTUM (0.46) | TACR1P2RX1TP53CES2POLQ | |
| SCHEMBL12436222 | 0.78 | P2RX1 (0.51) | TACR1P2RX1TACR2TP53CES2 | |
| SCHEMBL13994392 | 0.72 | CES2 (0.41) | TACR1CES2MAPTRXRARXRB | |
| SCHEMBL12435720 | 0.70 | TACR1 (0.50) | TACR1P2RX1CES2MAPTMLYCD | |
| SCHEMBL15397669 | 0.70 | TACR1 (0.59) | TACR1P2RX1CES2MAPTPOLQ | |
| SCHEMBL79186 | 0.68 | TACR1 (0.50) | TACR1P2RX1TP53CES2POLQ | |
| SCHEMBL12435579 | 0.67 | MLYCD (0.57) | TACR1P2RX1CES2MAPTPOLQ |
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-2336105-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | Takeda Pharmaceutical Company Limited (JP) | 2011-06-22 | — | — | EP | disclosed |