Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7484240 | 0.82 | MEN1 (0.44) | GPR3NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL29866320 | 0.80 | NOTUM (0.42) | GPR3NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL10588491 | 0.80 | NOTUM (0.42) | NOTUMKDM4EALDH1A1TTRCES1 | |
| SCHEMBL27321754 | 0.78 | GPR3 (0.46) | GPR3NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL221250 | 0.76 | NOTUM (0.64) | NOTUMKDM4EALDH1A1GAACES1 | |
| SCHEMBL5835789 | 0.76 | NOTUM (0.64) | NOTUMKDM4EALDH1A1GAACES1 | |
| SCHEMBL5397337 | 0.73 | LMNA (0.51) | NOTUMALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL7733992 | 0.72 | NOTUM (0.55) | NOTUMALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL31672940 | 0.72 | NOTUM (0.55) | NOTUMALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL6890897 | 0.72 | NOTUM (0.55) | NOTUMALDH1A1LMNAKMT2AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 洛克菲勒大学 | 2020-09-15 | — | — | CN | disclosed |
| CN-103781783-B | The substituted benzothiophene derivative of piperazine as antipsychotic drug | 大塚制药株式会社 | 2016-12-07 | — | — | CN | disclosed |
| CN-103443092-B | As the pyrrole derivative of α 7 cholinocepter conditioning agent | LUPIN LTD. (IN) | 2015-11-25 | — | — | CN | disclosed |
| WO-2013035892-A1 | PIPERAZINE- SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-14 | — | — | WO | disclosed |