Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | GHSR | Q92847 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1044315 | 0.85 | KCNH2 (0.58) | KDM4ESIGMAR1KCNH2LMNANR1I2 | |
| SCHEMBL24155571 | 0.84 | LMNA (0.46) | SIGMAR1LMNAMEN1KMT2AHRH3 | |
| SCHEMBL16217371 | 0.82 | KDM4E (0.47) | KDM4ESIGMAR1LMNAKMT2AALDH1A1 | |
| SCHEMBL17468366 | 0.82 | POLB (0.61) | SIGMAR1LMNAMEN1KMT2AHRH3 | |
| SCHEMBL21637809 | 0.82 | POLB (0.54) | KDM4ESIGMAR1LMNAMEN1KMT2A | |
| SCHEMBL17465264 | 0.82 | KCNH2 (0.53) | KDM4ESIGMAR1KCNH2LMNANR1I2 | |
| SCHEMBL270535 | 0.82 | LMNA (0.62) | KDM4ESIGMAR1KCNH2LMNANR1I2 | |
| SCHEMBL16437255 | 0.81 | HRH3 (0.56) | KDM4ELMNAHRH3ALDH1A1MAPT | |
| SCHEMBL13020890 | 0.81 | MAPK1 (0.55) | KDM4EMAPT | |
| SCHEMBL12203698 | 0.81 | ALDH1A1 (0.59) | KDM4ESIGMAR1KCNH2LMNANR1I2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834521-B2 | Choline kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |