Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 4/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 4/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD1 | O95696 | 1/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 0.36 |
| ▸ | CBLB | Q13191 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2950710 | 0.93 | IDH1 (0.41) | HTR6ADRB3TP53POLBRORC | |
| Trifluoroacetic Acid SCHEMBL2944666 | 0.93 | RORC (0.40) | HTR6ADRB3RORCIDH1NTSR1 | |
| Trifluoroacetic Acid SCHEMBL2949058 | 0.92 | HTR6 (0.39) | HTR6ADRB3RORCIDH1NTSR1 | |
| Trifluoroacetic Acid SCHEMBL2943606 | 0.92 | HTR6 (0.39) | HTR6ADRB3RORCIDH1NTSR1 | |
| Trifluoroacetic Acid SCHEMBL2945849 | 0.92 | ADRB3 (0.42) | HTR6ADRB3NTSR1BRD4BRD1 | |
| Trifluoroacetic Acid SCHEMBL2948621 | 0.91 | LMNA (0.41) | HTR6ADRB3TP53POLBRORC | |
| Trifluoroacetic Acid SCHEMBL2945851 | 0.90 | ADRB3 (0.43) | HTR6ADRB3TP53POLBNTSR1 | |
| Trifluoroacetic Acid SCHEMBL2950337 | 0.89 | RORC (0.39) | HTR6ADRB3RORCIDH1NTSR1 | |
| SCHEMBL13240078 | 0.89 | HTR6 (0.42) | HTR6ADRB3RORCIDH1NTSR1 | |
| SCHEMBL13240076 | 0.89 | RORC (0.43) | HTR6ADRB3RORCNTSR1BRD4 |
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-1943220-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048841-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |