Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CARM1 | Q86X55 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14067117 | 0.84 | HDAC3 (0.54) | CARM1ALDH1A1MEN1KMT2AHDAC3 | |
| SCHEMBL29367146 | 0.80 | ALDH1A1 (0.52) | CARM1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL377728 | 0.80 | ALDH1A1 (0.52) | CARM1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL25366946 | 0.78 | ALDH1A1 (0.50) | CARM1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL30528641 | 0.78 | ALDH1A1 (0.50) | CARM1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30072993 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19ADRA1D | |
| SCHEMBL9378373 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19HDAC3 | |
| SCHEMBL14067241 | 0.77 | PDK2 (0.46) | — | |
| SCHEMBL22295970 | 0.76 | ALDH1A1 (0.47) | CARM1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL14067201 | 0.75 | DPP8 (0.43) | GAA |
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-3651768-A1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | Board of Regents, The University of Texas System (US) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019014618-A1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2019-01-17 | — | — | WO | disclosed |
| WO-2011091410-A1 | TRPV4 ANTAGONISTS | GLAXOS SMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |