Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.43 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718985 | 0.82 | ADRA1A (0.39) | ADRA1AADRA2AP2RX3P2RX2MEN1 | |
| SCHEMBL3721624 | 0.81 | MPO (0.44) | ADRA1AADRA2AP2RX3P2RX2MEN1 | |
| SCHEMBL3726016 | 0.81 | L3MBTL1 (0.40) | ADRA1ATAAR1LMNAHTR2AMAPT | |
| SCHEMBL3726572 | 0.79 | NQO1 (0.43) | ADRA1AADRA2AP2RX3P2RX2CYP2D6 | |
| SCHEMBL10002478 | 0.76 | MAOB (0.43) | MAPK1TAAR1CA1CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20447729 | 0.75 | MAOB (0.46) | MAPK1TAAR1CA1CA2ALDH1A1 | |
| SCHEMBL16148146 | 0.73 | CYP2D6 (0.59) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL16853366 | 0.73 | ST14 (0.40) | TSHRALDH1A1 | |
| SCHEMBL3730285 | 0.69 | NR3C1 (0.34) | LMNAHTR2AMAPT | |
| SCHEMBL19555693 | 0.69 | MBOAT4 (0.45) | MAPK1RXRAGRIN1GRIN2B |
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 |