Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13940612 | 0.87 | KMT2A (0.46) | KDM4EALDH1A1HPGDHSD17B10CXCR4 | |
| SCHEMBL839479 | 0.83 | CYP2D6 (0.42) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL18157904 | 0.82 | CXCR4 (0.66) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL29204515 | 0.82 | CXCR4 (0.43) | KDM4EALDH1A1HPGDHSD17B10CXCR4 | |
| SCHEMBL10372034 | 0.81 | HSD11B1 (0.54) | KDM4EALDH1A1KMT2AMEN1GRIN2B | |
| Bromide SCHEMBL29605492 | 0.81 | CXCR4 (0.63) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL29604003 | 0.81 | CXCR4 (0.63) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL29501398 | 0.81 | ALDH1A1 (0.58) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL20609083 | 0.80 | CXCR4 (0.68) | KDM4EALDH1A1HPGDHSD17B10CYP2D6 | |
| SCHEMBL7958713 | 0.79 | CCR3 (0.60) | KDM4EALDH1A1KMT2AMEN1GRIN2B |
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-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |