Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MIF | P14174 | 2/20 | 0.43 |
| ▸ | CD74 | P04233 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1921321 | 0.89 | MPO (0.50) | ESR2ALDH1A1NPC1RAB9AMPO | |
| SCHEMBL1921163 | 0.85 | PTGS1 (0.46) | ESR2ALDH1A1NPC1RAB9AMPO | |
| SCHEMBL13984695 | 0.84 | NPC1 (0.44) | ESR2ALDH1A1NPC1RAB9AMIF | |
| SCHEMBL1922920 | 0.84 | MPO (0.42) | ESR2ALDH1A1NPC1RAB9AMPO | |
| SCHEMBL1921320 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MPOKMT2AKDM4EHSP90AB1 | |
| SCHEMBL1921663 | 0.82 | MPO (0.41) | ESR2ALDH1A1MPOKMT2A | |
| SCHEMBL1921165 | 0.76 | MPO (0.55) | ALDH1A1MPOKMT2ALMNAHSP90AB1 | |
| SCHEMBL1921069 | 0.76 | L3MBTL1 (0.45) | ALDH1A1RAB9AMPONPSR1KDM4E | |
| SCHEMBL9968279 | 0.76 | ESR2 (0.70) | ESR2ALDH1A1MIFMPOKMT2A | |
| SCHEMBL13984750 | 0.75 | CDK8 (0.38) | ALDH1A1NPC1RAB9AMPO |
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-2009000411-A1 | A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES | SANOFI-AVENTIS (FR) | 2008-12-31 | — | — | WO | disclosed |