Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 11/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 11/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL178565 | 0.83 | NPSR1 (0.57) | MTNR1AMTNR1BACHETAAR1CES2 | |
| SCHEMBL11578736 | 0.79 | TAAR1 (0.56) | MTNR1AMTNR1BACHETAAR1CES2 | |
| SCHEMBL30333595 | 0.79 | MTNR1B (0.54) | MTNR1AMTNR1BACHECES2CES1 | |
| SCHEMBL3169917 | 0.79 | ACHE (0.54) | ACHEALDH1A1LMNA | |
| SCHEMBL13791773 | 0.79 | MTNR1A (0.50) | MTNR1AMTNR1BACHETAAR1CES2 | |
| SCHEMBL25179436 | 0.79 | MTNR1B (0.54) | MTNR1AMTNR1BACHECES2CES1 | |
| SCHEMBL4572866 | 0.79 | MTNR1A (0.50) | MTNR1AMTNR1BACHETAAR1CES2 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.79 | ACHE (0.70) | ACHETAAR1CES2CES1CA1 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.79 | ACHE (0.70) | ACHETAAR1CES2CES1CA1 | |
| SCHEMBL5695283 | 0.78 | CA1 (0.55) | MTNR1AMTNR1BACHECA1CA2 |
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-2108012-A2 | SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2009-10-14 | — | — | EP | disclosed |
| WO-2008099076-A2 | SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2008-08-21 | — | — | WO | disclosed |