Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 5/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16011593 | 0.84 | P4HTM (0.50) | PARP1KMT2AGRM5CHRM2SIGMAR1 | |
| SCHEMBL20053073 | 0.84 | GRM5 (0.43) | PARP1GRM5CHRM2SIGMAR1EGLN1 | |
| SCHEMBL17668844 | 0.82 | GRM5 (0.46) | PARP1GRM5CHRM2SIGMAR1 | |
| SCHEMBL14840557 | 0.81 | FFAR1 (0.56) | KMT2AGRM5CHRM2SIGMAR1EGLN1 | |
| SCHEMBL2760746 | 0.79 | KMT2A (0.50) | PARP1KMT2AGRM5CHRM2SIGMAR1 | |
| SCHEMBL31044611 | 0.79 | MAPK1 (0.57) | GRM5CHRM2SIGMAR1EGLN1 | |
| SCHEMBL16011728 | 0.79 | MAPK1 (0.57) | GRM5CHRM2SIGMAR1EGLN1 | |
| SCHEMBL2468199 | 0.78 | KMT2A (0.49) | PARP1KMT2ASIRT6EGLN1 | |
| SCHEMBL31044626 | 0.78 | KMT2A (0.49) | PARP1KMT2AGRM5CHRM2SIGMAR1 | |
| SCHEMBL20053075 | 0.73 | PLOD2 (0.42) | GRM5CHRM2SIGMAR1EGLN1 |
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-2013049255-A1 | SUBSTITUED 5-(PROP-1-YN-1-YL)PICOLINAMIDE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2013-04-04 | — | — | WO | disclosed |
| WO-2013049255-A1 | SUBSTITUED 5-(PROP-1-YN-1-YL)PICOLINAMIDE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2013-04-04 | — | — | WO | disclosed |