Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.71 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.71 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | FER | P16591 | 1/20 | 0.44 |
| ▸ | LTK | P29376 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12778078 | 0.93 | PDK2 (0.63) | PDK2PDK4CREBBPBRPF1ACVR1 | |
| SCHEMBL12237301 | 0.84 | PDK2 (0.53) | PDK2PDK4CREBBPBRPF1ACVR1 | |
| SCHEMBL319934 | 0.83 | PDK2 (1.00) | PDK2PDK4MEN1ALDH1A1KMT2A | |
| SCHEMBL29518706 | 0.83 | PDK2 (1.00) | PDK2PDK4MEN1ALDH1A1KMT2A | |
| SCHEMBL31397805 | 0.80 | PDK2 (0.59) | PDK2PDK4ACVR1LRRK2PDGFRA | |
| SCHEMBL842406 | 0.80 | PDK2 (0.59) | PDK2PDK4ACVR1LRRK2PDGFRA | |
| SCHEMBL12778076 | 0.80 | PDK2 (0.53) | PDK2PDK4BRPF1MEN1ALDH1A1 | |
| SCHEMBL757520 | 0.78 | PDK2 (0.52) | PDK2PDK4CREBBPBRPF1ACVR1 | |
| SCHEMBL29789747 | 0.78 | PDK2 (0.52) | PDK2PDK4CREBBPBRPF1ACVR1 | |
| SCHEMBL12965826 | 0.78 | PDK2 (0.50) | PDK2PDK4MEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5216148-A | Treating, preventing neoplasms, dermatoses, aging of skin | HOFFMANN-LA ROCHE INC. (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0504695-A1 | New carboxamides, their preparation and pharmaceutical compositions containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-09-23 | — | — | EP | disclosed |