Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.54 |
| ▸ | HTR2B | P41595 | 8/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.54 |
| ▸ | HTR1A | P08908 | 6/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | BCL9 | O00512 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15076157 | 1.00 | HTR2C (0.54) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL15062008 | 1.00 | HTR2C (0.54) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL1231616 | 0.91 | SLC6A2 (0.51) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL23161332 | 0.84 | SLC6A2 (0.64) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL72907 | 0.83 | SLC6A2 (0.62) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL23146510 | 0.83 | SLC6A2 (0.62) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL24925309 | 0.82 | SCD (0.44) | SLC6A2HTR1ASLC6A4SLC6A3 | |
| SCHEMBL2944352 | 0.82 | SLC6A2 (0.54) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL3880092 | 0.82 | SLC6A2 (0.54) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 | |
| SCHEMBL17955431 | 0.81 | SLC6A2 (0.50) | HTR2CHTR2BSLC6A2HTR1ASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013091773-A1 | TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS | MERCK PATENT GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |
| EP-2607364-A1 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | Ares Trading S.A. (CH) | 2013-06-26 | — | — | EP | disclosed |