Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 4/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.55 |
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10927175 | 0.93 | KMT2A (0.51) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL4379040 | 0.90 | KMT2A (0.56) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL31364464 | 0.90 | KMT2A (0.56) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL10925461 | 0.89 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL10925497 | 0.87 | ADRA1D (0.67) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL21997738 | 0.85 | CASP3 (0.55) | ADRA1DADRA1AADRA1BCASP3KMT2A | |
| SCHEMBL5784952 | 0.82 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL10919964 | 0.81 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL10919966 | 0.81 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BCASP3NPSR1 | |
| SCHEMBL236787 | 0.79 | TDP1 (0.52) | CASP3GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4598077-A | Amidine derivatives and cardiotonic compositions | TORII & CO. LTD. (JP) | 1986-07-01 | — | — | US | disclosed |