Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 8/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10507830 | 0.75 | KDM4E (0.49) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28156453 | 0.75 | KCNA3 (0.50) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL12914543 | 0.72 | KDM4E (0.75) | CYP1A2CYP1B1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL24824482 | 0.71 | KDM4E (0.57) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16400113 | 0.71 | ALDH1A1 (0.49) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL31089698 | 0.71 | CA12 (0.51) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL11884983 | 0.71 | KDM4E (0.55) | ALDH1A1KDM4EHSD17B10SMN1; SMN2KMT2A | |
| SCHEMBL12812465 | 0.71 | NPC1 (0.50) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL13509563 | 0.70 | NOS3 (0.45) | CYP1A2CYP1B1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL25662790 | 0.70 | KDM4E (0.43) | CYP1A2CYP1B1ALDH1A1KDM4ECCR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106810560-B | A kind of synthetic method of 8- azepine cumarin and its application in anti-tumor drug | 天津科技大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-106810560-A | A kind of synthetic method of 8 azepine cumarin and its application in antineoplastic | 天津科技大学 | 2017-06-09 | — | — | CN | disclosed |