Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10695881 | 0.94 | ABCB1 (0.40) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10691936 | 0.93 | ABCB1 (0.40) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10693262 | 0.86 | ABCB1 (0.34) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL9666610 | 0.86 | ABCB1 (0.34) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10696037 | 0.86 | ABCB1 (0.34) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10696062 | 0.85 | ABCB1 (0.33) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10697695 | 0.85 | ABCB1 (0.34) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10697687 | 0.83 | ABCB1 (0.33) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL9667013 | 0.83 | ABCB1 (0.32) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL10697683 | 0.82 | ABCB1 (0.32) | ABCB1CYP3A4ABCC1KCNH2TSHR |
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-4792559-A | 1,2,3,4-tetrahydroquinoline substituted 5-aminopentanenitrile compounds and their use as calcium modulators | ADIR ET COMPAGNIE (FR) | 1988-12-20 | — | — | US | disclosed |