Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413733 | 0.89 | ALDH1A1 (0.66) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL3415842 | 0.86 | ALDH1A1 (0.50) | PIM1PIM2ALDH1A1HPGDNR4A1 | |
| SCHEMBL364612 | 0.84 | ALDH1A1 (0.62) | PIM1PIM2ALDH1A1HPGDMKNK1 | |
| SCHEMBL1317504 | 0.82 | NR4A1 (0.68) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317461 | 0.81 | NR4A1 (0.51) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317391 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1319813 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317581 | 0.78 | NR4A1 (0.56) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL15428861 | 0.78 | WNT3A (0.46) | — | |
| SCHEMBL3415837 | 0.78 | CYP4F2 (0.49) | CYP3A4MAPK1RAB9ACYP11B1CYP11B2 |
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-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 |