Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 8/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1586759 | 0.79 | NOTUM (0.45) | HCRTR1HCRTR2NOTUMCA12CA1 | |
| SCHEMBL1586320 | 0.78 | NOTUM (0.38) | CYP1A2CYP2C19KDM4ECYP2D6NPC1 | |
| SCHEMBL1586800 | 0.78 | CA1 (0.37) | CYP1A2CYP2C19KDM4ECYP2D6HCRTR1 | |
| SCHEMBL1586140 | 0.75 | NOTUM (0.38) | KDM4ENPC1NOTUMMEN1ALDH1A1 | |
| SCHEMBL20973018 | 0.75 | NOTUM (0.46) | KDM4ENPC1NOTUMMEN1ALDH1A1 | |
| SCHEMBL31589183 | 0.74 | KDM4E (0.42) | CYP1A2CYP2C19KDM4ECYP2D6HCRTR1 | |
| SCHEMBL28549023 | 0.74 | NOTUM (0.39) | KDM4ENPC1RAB9ANOTUMMEN1 | |
| SCHEMBL15401924 | 0.74 | L3MBTL1 (0.41) | HCRTR1HCRTR2NPC1RAB9AMEN1 | |
| SCHEMBL6984312 | 0.73 | NPC1 (0.51) | CYP1A2CYP2C19KDM4ECYP2D6NPC1 | |
| SCHEMBL2900720 | 0.70 | MEN1 (0.39) | CYP1A2CYP2C19KDM4ECYP2D6HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107531685-B | Compounds with antitumor activity | AB科学有限公司 | 2021-04-23 | — | — | CN | disclosed |