Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | AGTR2 | P50052 | 12/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17583938 | 0.86 | ESR2 (0.50) | ACACBAGTR2AGTR1TMEM97SIGMAR1 | |
| SCHEMBL11747939 | 0.84 | AGTR2 (0.53) | ACACBAGTR2AGTR1GPR183NPC1 | |
| SCHEMBL23315583 | 0.82 | NPC1 (0.62) | ACACBAGTR2AGTR1GPR183NPC1 | |
| SCHEMBL17583937 | 0.80 | ACACB (0.54) | ACACBAGTR2AGTR1GPR183 | |
| SCHEMBL16039389 | 0.80 | AGTR2 (0.52) | ACACBAGTR2AGTR1GPR183 | |
| SCHEMBL21796225 | 0.80 | AGTR2 (0.66) | ACACBAGTR2AGTR1 | |
| SCHEMBL17798555 | 0.78 | ALDH1A1 (0.43) | CARM1NPC1KMT2A | |
| SCHEMBL23315440 | 0.78 | KMT2A (0.51) | ACACBAGTR2GPR183NPC1KMT2A | |
| SCHEMBL3531595 | 0.77 | AGTR2 (0.68) | AGTR2AGTR1GPR183NPC1KMT2A | |
| SCHEMBL5132181 | 0.77 | AGTR2 (0.68) | ACACBAGTR2AGTR1NPC1KMT2A |
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-3194367-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES | Boehringer Ingelheim International GmbH (DE) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016041845-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-24 | — | — | WO | disclosed |