Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22084443 | 0.85 | BACE1 (0.40) | KDM4ELMNAMAPTIDO1 | |
| SCHEMBL19249261 | 0.81 | IDO1 (0.36) | KMT2AMAPTIDO1TDO2 | |
| SCHEMBL19249347 | 0.77 | ALDH1A1 (0.45) | KMT2AKDM4EMAPT | |
| SCHEMBL22083868 | 0.75 | CDK7 (0.34) | HDAC4MEF2DPARP1 | |
| SCHEMBL22083943 | 0.71 | OPRM1 (0.31) | MAPTIDO1TDO2 | |
| SCHEMBL19249094 | 0.70 | TDO2 (0.50) | AURKARPS6KB1AURKBTAAR1EGFR | |
| SCHEMBL4792453 | 0.68 | BACE1 (0.51) | KDM4EHDAC4MEF2DIDO1ADORA1 | |
| SCHEMBL22083949 | 0.67 | TAAR1 (0.35) | PKMTAAR1ADORA2A | |
| SCHEMBL19249207 | 0.67 | TDO2 (0.76) | IDO1TDO2 | |
| SCHEMBL19249090 | 0.67 | TDP1 (0.33) | ALOX15 |
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-2017133258-A1 | 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR | 西华大学 | 2017-08-10 | — | — | WO | disclosed |