Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10936827 | 0.83 | NPC1 (0.47) | KMT2ACYP19A1GAACCNB2CDK1 | |
| SCHEMBL11654414 | 0.81 | KDM4E (0.53) | KMT2ACCNB2CDK1CCNB1GSK3A | |
| SCHEMBL16382913 | 0.75 | CYP19A1 (0.60) | KMT2ACYP19A1GAAMEN1NPC1 | |
| SCHEMBL28281351 | 0.75 | MEN1 (0.41) | KMT2ACYP19A1TNKSPARP1TNKS2 | |
| SCHEMBL8802300 | 0.73 | KMT2A (0.41) | KMT2AGAAMGAMSIMGAM2 | |
| SCHEMBL24098965 | 0.70 | NPY5R (0.42) | KMT2ACCNB2CDK1CCNB1GSK3A | |
| SCHEMBL27975619 | 0.69 | KMT2A (0.49) | KMT2APARP1RAPGEF4MEN1NPC1 | |
| SCHEMBL3928038 | 0.68 | RAPGEF4 (0.50) | KMT2ARAPGEF4MEN1NPC1RAB9A | |
| SCHEMBL24629725 | 0.68 | KMT2A (0.52) | KMT2APARP1GAARAPGEF4MEN1 | |
| SCHEMBL14867268 | 0.67 | KDM4E (0.48) | KMT2ATNKSPARP1TNKS2GAA |
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-109503454-B | Preparation method of indole compound | 北京化工大学 | 2020-09-04 | — | — | CN | disclosed |
| CN-109503454-A | A kind of preparation method of Benzazole compounds | 北京化工大学 | 2019-03-22 | — | — | CN | disclosed |