Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.39 |
| ▸ | P2RX2 | Q9UBL9 | 6/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708865 | 0.81 | MAOB (0.33) | ADRA1AADRA2ABLMP2RX3P2RX2 | |
| SCHEMBL21709262 | 0.80 | P2RX3 (0.38) | NFKB1P2RX3P2RX2LMNATSHR | |
| SCHEMBL21709274 | 0.79 | P2RX3 (0.33) | ADRA1AADRA2AP2RX3P2RX2MGAM | |
| SCHEMBL21709069 | 0.78 | ADRA1A (0.44) | ADRA1AADRA2ANFKB1BLMPMP22 | |
| SCHEMBL21709270 | 0.77 | P2RX3 (0.38) | ADRA1AADRA2AP2RX3P2RX2 | |
| SCHEMBL21709070 | 0.75 | NFKB1 (0.50) | ADRA1AADRA2ANFKB1BLMPMP22 | |
| SCHEMBL21708902 | 0.74 | ADRA2A (0.35) | ADRA1AADRA2ANFKB1BLMPMP22 | |
| SCHEMBL8904463 | 0.74 | ADRA1A (0.56) | ADRA1AADRA2ANFKB1BLMPMP22 | |
| Hydrochloric Acid SCHEMBL8905797 | 0.72 | BLM (0.58) | ADRA1AADRA2ANFKB1BLMPMP22 | |
| SCHEMBL20970925 | 0.70 | ADRA2A (0.57) | ADRA1AADRA2ANFKB1BLMPMP22 |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |