Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL65018 | 0.88 | KDM4E (0.50) | HTTALDH1A1HSD17B10KDM4EGAA | |
| Hydrochloric Acid SCHEMBL62143 | 0.86 | HTT (0.49) | HTTALDH1A1HSD17B10KDM4EGAA | |
| Tert-Butyl Formate SCHEMBL27674643 | 0.82 | HTR2C (0.44) | HTR2C | |
| Tert-Butyl Formate SCHEMBL28824582 | 0.82 | HTT (0.38) | HTTALDH1A1HSD17B10KDM4EGAA | |
| Tert-Butyl Formate SCHEMBL28123133 | 0.81 | HTR2C (0.43) | HTR2C | |
| SCHEMBL29098494 | 0.81 | HTR2C (0.45) | ALDH1A1SMN1; SMN2HTR2CP2RY14MEN1 | |
| Tert-Butyl Formate SCHEMBL28014693 | 0.80 | HTR2C (0.44) | HTR2C | |
| Tert-Butyl Formate SCHEMBL27745536 | 0.80 | HTR2C (0.44) | TLR9TLR8HTR2CP2RY14 | |
| Tert-Butyl Formate SCHEMBL28096252 | 0.80 | HTR3A (0.53) | HTR2C | |
| Tert-Butyl Formate SCHEMBL27318173 | 0.80 | HTR2C (0.44) | HTR2C |
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-105367576-A | Pyrrolopyrimidine compounds as TLR7 agonists | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-104662006-A | Quinazolinone derivatives as PARP inhibitors | MERCK PATENT GMBH | 2015-05-27 | — | — | CN | disclosed |