Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GCK | P35557 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8568267 | 0.81 | ALDH1A1 (0.48) | PARP10RAB9AGCKMAPK8ALDH1A1 | |
| SCHEMBL3661678 | 0.81 | SIRT2 (0.47) | MAPTMAPK8ALDH1A1TRPA1MEN1 | |
| SCHEMBL7512451 | 0.81 | PARP10 (0.48) | PARP10MAPTNPC1RAB9AGCK | |
| SCHEMBL27569231 | 0.78 | PARP10 (0.51) | PARP10MAPTNPC1RAB9AGCK | |
| SCHEMBL30693359 | 0.77 | MAPK8 (0.57) | PARP10MAPTNPC1RAB9AHTR1A | |
| SCHEMBL5523941 | 0.77 | MAPK8 (0.57) | PARP10MAPTNPC1RAB9AHTR1A | |
| SCHEMBL14353384 | 0.76 | POLB (0.54) | PARP10SQOR | |
| SCHEMBL9959798 | 0.75 | PARP10 (0.45) | PARP10MAPTNPC1RAB9AGCK | |
| SCHEMBL15074670 | 0.72 | HTR1A (0.54) | MAPTNPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL28018456 | 0.72 | SIRT3 (0.43) | — |
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-2575461-A1 | SUBSTITUTED-6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | Vanderbilt University (US) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011149963-A1 | SUBSTITUTED-6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2011-12-01 | — | — | WO | disclosed |