Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428855 | 0.90 | CHRM3 (0.57) | CHRM3EPHX2MAOANR1H4NR4A1 | |
| SCHEMBL1318756 | 0.87 | NR1H4 (0.55) | EPHX2NR1H4NR4A1NR4A2NR4A3 | |
| SCHEMBL15428849 | 0.85 | MMP13 (0.54) | EPHX2RAB9ANR1H4NR4A1NR4A2 | |
| SCHEMBL15428870 | 0.83 | KMT2A (0.67) | CHRM3EPHX2RAB9ANR1H4KMT2A | |
| SCHEMBL15428868 | 0.83 | SMN1; SMN2 (0.53) | EPHX2RAB9ANR1H4NR4A1NR4A2 | |
| SCHEMBL15428860 | 0.83 | KDM4E (0.53) | CHRM3EPHX2HDAC1NR1H4NR4A1 | |
| SCHEMBL1317297 | 0.82 | CHRM3 (0.59) | CHRM3EPHX2MAOAIDO1KDM1A | |
| SCHEMBL15428856 | 0.81 | NR1H4 (0.60) | EPHX2RAB9ANR1H4NR4A1NR4A2 | |
| SCHEMBL1318959 | 0.81 | MMP13 (0.63) | CHRM3 | |
| SCHEMBL15428864 | 0.80 | MMP13 (0.65) | CHRM3KMT2AROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |