Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 2/20 | 0.40 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3722878 | 0.99 | MEN1 (0.40) | P2RX3P2RX2HTR2ACYP2D6ADRA2A | |
| SCHEMBL3722579 | 0.83 | L3MBTL1 (0.40) | P2RX3P2RX2HTR2ACYP2D6ADRA2A | |
| SCHEMBL3718921 | 0.83 | L3MBTL1 (0.40) | P2RX3P2RX2HTR2ACYP2D6ADRA2A | |
| SCHEMBL12392104 | 0.80 | CACNA1I (0.42) | HTR2AMAPK1HTR2CHTR2BCA12 | |
| SCHEMBL1063334 | 0.80 | CACNA1I (0.42) | HTR2AMAPK1HTR2CHTR2BCA12 | |
| SCHEMBL30320162 | 0.80 | CACNA1I (0.42) | HTR2AMAPK1HTR2CHTR2BCA12 | |
| SCHEMBL3718985 | 0.79 | ADRA1A (0.39) | P2RX3P2RX2HTR2AADRA2AADRA1A | |
| Hydrochloric Acid SCHEMBL1057145 | 0.78 | CACNA1I (0.41) | HTR2AMEN1KMT2AMAPK1BLM | |
| Hydrochloric Acid SCHEMBL27772201 | 0.78 | CACNA1I (0.41) | HTR2AMEN1KMT2AMAPK1BLM | |
| SCHEMBL3720597 | 0.76 | CACNA1I (0.37) | P2RX3P2RX2HTR2ACYP2D6MEN1 |
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-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |