Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP2 | O95551 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21595065 | 0.85 | HRH3 (0.43) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL25146739 | 0.82 | ITGB1 (0.49) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL11575773 | 0.80 | KDM4E (0.54) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL29348780 | 0.79 | HRH3 (0.43) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL12987761 | 0.79 | HRH3 (0.43) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL30730901 | 0.75 | AURKA (0.44) | HRH3ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL12263289 | 0.75 | HPGD (0.46) | HRH3ITGB1ITGA4ITGB7ALDH1A1 | |
| SCHEMBL12263288 | 0.74 | SMN1; SMN2 (0.50) | ITGB1ITGA4ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL12988316 | 0.74 | GSTP1 (0.60) | HRH3SMN1; SMN2CYP1A2MAPTNPC1 | |
| SCHEMBL12205172 | 0.73 | BRD4 (0.70) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021119249-A1 | CYCLOPHILIN D INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-06-17 | — | — | WO | disclosed |