Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709152 | 0.78 | ADRA1A (0.41) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL2985234 | 0.76 | LMNA (0.43) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL21709161 | 0.75 | ADRB2 (0.31) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL16216339 | 0.72 | LMNA (0.40) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL16216157 | 0.71 | ADRA2A (0.68) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL21709190 | 0.65 | HMGCR (0.40) | ADRA1ACYP3A4HSD17B10KDM4ETDP1 | |
| SCHEMBL21708902 | 0.65 | ADRA2A (0.35) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL15826767 | 0.65 | P2RX3 (0.33) | P2RX3P2RX2 | |
| SCHEMBL2988507 | 0.64 | TDP1 (0.64) | LMNAADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL22920980 | 0.64 | TDP1 (0.64) | LMNAADRA2AADRA2BADRA2CADRA1A |
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 |