Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8321808 | 0.86 | KMT2A (0.44) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL3794847 | 0.84 | CYP3A4 (0.46) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL28726060 | 0.83 | ALDH1A1 (0.43) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL4447138 | 0.83 | KMT2A (0.41) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL614879 | 0.81 | ALDH1A1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL29799881 | 0.81 | ALDH1A1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL27685032 | 0.81 | NPC1 (0.52) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL28155065 | 0.79 | MAPT (0.42) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL27397239 | 0.79 | SMN1; SMN2 (0.44) | CYP3A4ALDH1A1SMN1; SMN2TSHRNPC1 | |
| SCHEMBL25014 | 0.78 | HSD17B10 (0.50) | CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107148420-A | Benzyl substituted indazoles | 拜耳制药股份公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-107074825-A | Benzyl substituted indazoles as BUB1 kinase inhibitors | 拜耳制药股份公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-102791659-A | Material for electronic devices | MERCK PATENT GMBH | 2012-11-21 | — | — | CN | disclosed |