Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PTGFR | P43088 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2396901 | 0.86 | TOP1 (0.40) | MEN1KMT2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15520369 | 0.77 | CHRM1 (0.38) | HCRTR1HCRTR2CYP2D6TOP1CHKA | |
| SCHEMBL15520587 | 0.75 | CHRM1 (0.38) | HCRTR1HCRTR2CYP3A4CYP2D6TOP1 | |
| SCHEMBL3425513 | 0.69 | CHRM1 (0.46) | TOP1 | |
| SCHEMBL15520408 | 0.69 | CHRM1 (0.42) | — | |
| SCHEMBL9022279 | 0.64 | KMT2A (0.45) | MEN1KMT2AMCHR1 | |
| SCHEMBL15520697 | 0.64 | HCRTR1 (0.43) | HCRTR1HCRTR2TOP1 | |
| SCHEMBL15519278 | 0.64 | HCRTR1 (0.41) | HCRTR1HCRTR2CYP2D6TOP1 | |
| SCHEMBL15520440 | 0.62 | HCRTR1 (0.43) | HCRTR1HCRTR2MCHR1 | |
| SCHEMBL2395094 | 0.62 | CHRM1 (0.49) | TOP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2252299-B1 | FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2014-03-19 | — | — | EP | claimed |