Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAC1 | P63000 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22981526 | 0.84 | DRD2 (0.47) | HSP90AA1ESR2ESR1NOTUMMEN1 | |
| SCHEMBL17607344 | 0.84 | ABHD6 (0.38) | HSP90AA1HSP90AB1ESR2ESR1NOTUM | |
| SCHEMBL16416542 | 0.81 | ERN1 (0.44) | ESR2ESR1NOTUMMEN1MAPT | |
| SCHEMBL28931023 | 0.81 | NOTUM (0.36) | HSP90AA1HSP90AB1ESR2ESR1NOTUM | |
| SCHEMBL2804587 | 0.80 | AKR1C3 (0.50) | HSP90AA1HSP90AB1NOTUMMEN1MAPT | |
| SCHEMBL17583907 | 0.78 | ESR2 (0.62) | ESR2MAPTABHD6 | |
| SCHEMBL29097985 | 0.74 | DRD2 (0.48) | ESR2ESR1 | |
| SCHEMBL28952612 | 0.74 | ESR2 (0.33) | ESR2ESR1NOTUMMEN1MAPT | |
| SCHEMBL20869490 | 0.74 | DRD2 (0.49) | MAPT | |
| SCHEMBL16961694 | 0.73 | ABHD6 (0.37) | ESR2ESR1NOTUMMEN1MAPT |
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 |