Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 8/20 | 0.68 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.43 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953529 | 0.84 | ACE (0.61) | ACEMTNR1BNPSR1TSHRKEAP1 | |
| SCHEMBL19953642 | 0.84 | ACE (0.61) | ACEMTNR1BNPSR1TSHRKEAP1 | |
| SCHEMBL7152377 | 0.83 | ACE (0.60) | ACEMTNR1BHHAT | |
| SCHEMBL3613317 | 0.83 | ACE (0.60) | ACEMTNR1B | |
| SCHEMBL10901972 | 0.83 | ACE (0.60) | ACEMTNR1BKEAP1HHAT | |
| SCHEMBL5023851 | 0.83 | ACE (0.66) | ACENPSR1TSHR | |
| SCHEMBL17061165 | 0.83 | ACE (0.51) | ACEMTNR1BNPSR1DRD1HHAT | |
| SCHEMBL10901930 | 0.81 | ACE (0.57) | ACEMTNR1BDRD1HHAT | |
| SCHEMBL10901947 | 0.81 | ACE (0.57) | ACEMTNR1BDRD1HHAT | |
| SCHEMBL11086875 | 0.81 | ACE (1.00) | ACEMTNR1BNPSR1DRD1HHAT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978751-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014160668-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |