Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.79 |
| ▸ | HPGD | P15428 | 3/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.79 |
| ▸ | POLB | P06746 | 2/20 | 0.72 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.72 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.53 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3036074 | 0.86 | KDM4E (0.74) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL9127829 | 0.86 | KDM4E (0.86) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL1345727 | 0.86 | KDM4E (0.73) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL29628842 | 0.85 | KDM4E (0.76) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| Hydrochloric Acid SCHEMBL1343869 | 0.85 | ALDH1A1 (0.72) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL15428037 | 0.84 | KDM4E (1.00) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL6703468 | 0.83 | KDM4E (0.69) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL3953976 | 0.82 | HTR6 (0.58) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL4231080 | 0.80 | HTR1D (0.74) | KDM4EALDH1A1HSD17B10POLBMEN1 | |
| SCHEMBL29201304 | 0.80 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDHSD17B10POLB |
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-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |
| WO-2009097515-A2 | [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-08-06 | — | — | WO | disclosed |