Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 4/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 4/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708904 | 0.86 | KDM1A (0.37) | P2RX3P2RX2MAOAKDM1AMAOB | |
| SCHEMBL21709152 | 0.81 | ADRA1A (0.41) | ADRB2ADRB1ADRB3MAOAKDM1A | |
| SCHEMBL21709082 | 0.80 | ADRA1A (0.49) | P2RX3P2RX2LMNATSHRNFKB1 | |
| SCHEMBL21708891 | 0.80 | KDM1A (0.35) | MAOAKDM1AMAOB | |
| SCHEMBL21709266 | 0.80 | P2RX3 (0.34) | P2RX3P2RX2MAOA | |
| SCHEMBL21709274 | 0.76 | P2RX3 (0.33) | P2RX3P2RX2MAOAMAOB | |
| SCHEMBL21709076 | 0.75 | ADRB2 (0.52) | ADRB2ADRB1ADRB3ALDH1A1LMNA | |
| SCHEMBL21709147 | 0.74 | TSHR (0.33) | KDM1ATSHR | |
| SCHEMBL21709263 | 0.69 | HTR2A (0.42) | OPRM1 | |
| SCHEMBL21708879 | 0.67 | ADRB2 (0.43) | ADRB2ADRB1ADRB3ALDH1A1LMNA |
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 |