Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | SCN1A | P35498 | 2/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27499034 | 0.93 | MEN1 (0.71) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL22621474 | 0.93 | MEN1 (0.71) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL13377166 | 0.92 | MEN1 (0.69) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL28240607 | 0.89 | MEN1 (0.59) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL208341 | 0.85 | TSHR (0.53) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| Methylene Chloride SCHEMBL29003874 | 0.84 | MEN1 (0.54) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL12715091 | 0.83 | KDM4E (0.61) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL8550631 | 0.81 | KDM4E (0.64) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL27929943 | 0.80 | SCN1A (0.50) | KMT2AMEN1SCN1ASCN2ASCN3A | |
| SCHEMBL21547354 | 0.80 | LMNA (0.72) | KMT2AMEN1SCN1ASCN2ASCN3A |
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-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |