Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18043812 | 0.99 | HTR6 (0.33) | HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL15061966 | 0.73 | HTR6 (0.34) | HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15048751 | 0.72 | HTR6 (0.34) | HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL16296073 | 0.66 | HTR6 (0.31) | HTR6 | |
| SCHEMBL18043811 | 0.62 | HTR6 (0.36) | HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL15062063 | 0.56 | KDM4E (0.39) | CYP1A2SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15048926 | 0.55 | KDM4E (0.38) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL29178534 | 0.55 | GSK3B (0.39) | HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL15076175 | 0.55 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL11913273 | 0.54 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794608-B1 | TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS | MERCK PATENT GMBH (DE) | 2016-09-14 | — | — | EP | disclosed |
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |
| WO-2013091773-A1 | TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS | MERCK PATENT GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |