Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 8/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934969 | 0.78 | ITGB3 (0.51) | NPC1RAB9ACHEK1PIM1MAPK8 | |
| SCHEMBL6941352 | 0.77 | ITGB3 (0.47) | F10 | |
| SCHEMBL6935372 | 0.75 | NPC1 (0.38) | NPC1RAB9AF10 | |
| SCHEMBL7879691 | 0.72 | ITGB3 (0.56) | NPC1RAB9ACHEK1PIM1MAPK8 | |
| Hydrochloric Acid SCHEMBL31158180 | 0.71 | PYGL (0.54) | PYGLNPC1RAB9AF10KMT2A | |
| SCHEMBL6937428 | 0.65 | ITGB3 (0.40) | — | |
| SCHEMBL6935740 | 0.65 | ITGB3 (0.46) | NPC1RAB9ACHEK1PIM1MAPK8 | |
| SCHEMBL31104220 | 0.65 | PYGL (0.57) | PYGLNPC1RAB9ACHEK1PIM1 | |
| SCHEMBL7882801 | 0.65 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL7879657 | 0.65 | ABCC1 (0.39) | PYGLKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | claimed |
| EP-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |