Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | TAF1 | P21675 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24934110 | 0.85 | OGG1 (0.42) | LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2260637 | 0.80 | TTR (0.45) | MAP2K1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15245009 | 0.80 | BRD4 (0.44) | BRD4TAF1KDM4EALDH1A1TSHR | |
| SCHEMBL15245139 | 0.80 | BRD4 (0.44) | BRD4MAP2K1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL924584 | 0.79 | ALDH1A1 (0.58) | SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL15245117 | 0.79 | SMN1; SMN2 (0.37) | LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21224436 | 0.79 | BRD4 (0.51) | BRD4TAF1MAP2K1HDAC8HDAC6 | |
| SCHEMBL15245148 | 0.77 | KDM4E (0.43) | BRD4LMNASMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL15245133 | 0.77 | KDM4E (0.46) | BRD4LMNASMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL15228250 | 0.77 | KDM4E (0.46) | BRD4LMNASMN1; SMN2CYP1A2CYP2C9 |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |