Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428883 | 0.80 | EPHX1 (0.39) | EPHX1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6043876 | 0.72 | EPHX1 (0.41) | EPHX1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL176778 | 0.72 | EPHX1 (0.41) | EPHX1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL2836151 | 0.69 | — | — | |
| Cyclohexane SCHEMBL1882975 | 0.65 | CRBN (0.50) | EPHX1MEN1KMT2ANPC1RAB9A | |
| Cyclopentane SCHEMBL22729196 | 0.65 | CRBN (0.50) | EPHX1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL11354262 | 0.65 | CRBN (0.50) | EPHX1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL16326843 | 0.65 | — | — | |
| SCHEMBL2838081 | 0.65 | — | — | |
| SCHEMBL6043694 | 0.65 | NPC1 (0.40) | EPHX1NPC1RAB9ASMN1; SMN2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346831-B1 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| US-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| WO-2010056585-A2 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-20 | — | — | WO | disclosed |