Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | NT5C2 | P49902 | 2/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18521523 | 0.74 | BRD4 (0.52) | BRD4EGFRAURKBP2RX3HTT | |
| SCHEMBL5031511 | 0.72 | HDAC3 (0.51) | BRD4HDAC3MAPK1HDAC1HDAC2 | |
| SCHEMBL27873799 | 0.72 | ADORA3 (0.66) | BRD4EGFRAURKBMAPTMAPK1 | |
| SCHEMBL23123 | 0.72 | BRD4 (0.64) | BRD4EGFRAURKBHTTCSF1R | |
| SCHEMBL23283445 | 0.72 | EGFR (0.76) | BRD4EGFRAURKBCSF1RNT5C2 | |
| SCHEMBL2343403 | 0.71 | MAPK1 (0.58) | BRD4EGFRAURKBMAPK1CSF1R | |
| SCHEMBL8381773 | 0.71 | BRD4 (0.63) | BRD4EGFRAURKBHTTCSF1R | |
| SCHEMBL11831465 | 0.70 | MEN1 (0.64) | P2RX3HTTCYP1A2MAPTCYP2C9 | |
| SCHEMBL14439750 | 0.70 | NPC1 (0.61) | HTTHDAC3MAPK1HDAC1HDAC2 | |
| SCHEMBL21356268 | 0.69 | BRAF (0.49) | BRD4EGFRAURKBHTTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2813512-B1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2021-03-31 | — | — | EP | disclosed |