Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17084504 | 0.81 | JAK3 (0.35) | CYP3A4CYP1A2ALOX15HSD17B10NOS3 | |
| SCHEMBL4634255 | 0.79 | KDM4E (0.39) | CYP3A4CYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL26288121 | 0.77 | PGK1 (0.39) | CYP3A4CYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL26288127 | 0.77 | ALDH1A1 (0.41) | CYP3A4CYP1A2ALOX15HSD17B10KDM4E | |
| SCHEMBL25154084 | 0.74 | PDCD1 (0.36) | HSD17B10HPGDKDM4EALDH1A1MAPT | |
| SCHEMBL26801021 | 0.74 | CCR4 (0.46) | CYP3A4CYP1A2HSD17B10ALDH1A1HTT | |
| SCHEMBL21985368 | 0.73 | GRM5 (0.34) | CYP3A4CYP1A2NOS3NOS2KDM4E | |
| SCHEMBL24457887 | 0.73 | NOS3 (0.30) | CYP3A4CYP1A2NOS3NOS2CYP2D6 | |
| SCHEMBL24600094 | 0.73 | PDXK (0.34) | LRRK2 | |
| SCHEMBL23889339 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023064345-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2023-04-20 | — | — | WO | disclosed |
| EP-3318561-B1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC (US) | 2021-12-22 | — | — | EP | disclosed |
| EP-2463714-A1 | Basic compound, chemically amplified resist composition and patterning process | Shin-Etsu Chemical Co., Ltd. (JP) | 2012-06-13 | — | — | EP | disclosed |