Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28872615 | 0.90 | AR (0.50) | TAS1R3TAS1R1MAOAMMP2MMP13 | |
| Ethoxycarbonyl Group SCHEMBL28687272 | 0.88 | ALDH1A1 (0.51) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL30201702 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL50552 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Tert-Butyl Formate SCHEMBL28842061 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Propionic Acid SCHEMBL8917355 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Bromide SCHEMBL8916350 | 0.81 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Hydrochloric Acid SCHEMBL8915608 | 0.81 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| SCHEMBL29566955 | 0.81 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 | |
| Iodide SCHEMBL8916427 | 0.81 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |