Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | LITAF | Q99732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2274395 | 0.92 | HTR6 (0.49) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2276483 | 0.88 | HTR6 (0.48) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2226749 | 0.88 | HTR6 (0.47) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2224307 | 0.87 | HTR6 (0.48) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2276678 | 0.87 | HTR6 (0.48) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2276584 | 0.87 | HTR6 (0.47) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL9953348 | 0.87 | HTR6 (0.47) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL9952710 | 0.87 | HTR6 (0.49) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2224575 | 0.86 | HTR6 (0.46) | HTR6BCHEGPR119CYP3A4TGFBR1 | |
| SCHEMBL2278896 | 0.86 | HTR6 (0.46) | HTR6BCHEGPR119CYP3A4TGFBR1 |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |