Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27469437 | 0.87 | PKM (0.39) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL28055980 | 0.87 | PKM (0.37) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL28615069 | 0.85 | PKM (0.38) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL27936436 | 0.85 | FFAR1 (0.40) | PKMFFAR1FFAR4CYP3A4CYP2C19 | |
| SCHEMBL28963024 | 0.80 | PKM (0.39) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL11712958 | 0.79 | MEN1 (0.39) | MEN1KMT2AALDH1A1 | |
| SCHEMBL27850278 | 0.78 | CYP3A4 (0.43) | FFAR1FFAR4KMT2ACYP3A4CYP2C19 | |
| SCHEMBL27585418 | 0.78 | MPO (0.37) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL16685788 | 0.77 | PKM (0.56) | PKMFFAR1FFAR4MEN1KMT2A | |
| SCHEMBL6172318 | 0.77 | CES2 (0.45) | MEN1KMT2ACYP3A4CYP2C19CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110498759-A | The synthetic method of isoindoline ketone compound | TIANJIN RUILING CHEMICAL CO LTD | 2019-11-26 | — | — | CN | disclosed |
| CN-107250126-B | Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method thereof | 四川科伦博泰生物医药股份有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-109415355-A | Benzdioxan derivative and its medicinal usage | 奥赖恩公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109265443-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-01-25 | — | — | CN | disclosed |
| CN-107250126-A | Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method thereof | 四川科伦博泰生物医药股份有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |