Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | RPA1 | P27694 | 1/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744237 | 0.98 | ALDH1A1 (0.64) | ALDH1A1HPGDRPA1NR4A1NR4A2 | |
| Hydrochloric Acid SCHEMBL10434191 | 0.97 | ALDH1A1 (0.62) | ALDH1A1HPGDRPA1NR4A1NR4A2 | |
| SCHEMBL15314440 | 0.85 | MAPKAPK2 (0.48) | ALDH1A1HPGDFFAR1KDM4EMAPKAPK2 | |
| SCHEMBL1772679 | 0.84 | ALDH1A1 (0.84) | ALDH1A1HPGDRPA1NR4A1NR4A2 | |
| SCHEMBL219153 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HPGDFFAR1KDM4EMAPKAPK2 | |
| SCHEMBL1658932 | 0.83 | NR4A1 (0.54) | ALDH1A1HPGDRPA1NR4A1NR4A2 | |
| SCHEMBL5203748 | 0.81 | SRD5A2 (0.62) | KDM4ESRD5A2 | |
| SCHEMBL9428945 | 0.81 | ERCC5 (0.67) | ALDH1A1HPGDRPA1NR4A1NR4A2 | |
| SCHEMBL27773423 | 0.81 | ERCC5 (0.55) | ALDH1A1HPGDFFAR1MAPKAPK2ERCC5 | |
| SCHEMBL4943632 | 0.81 | CYP1A2 (0.53) | ALDH1A1HPGDFFAR1KDM4EMAPKAPK2 |
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 |