Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14297361 | 1.00 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL18478135 | 1.00 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL4550437 | 0.87 | CYP3A4 (0.43) | SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19 | |
| SCHEMBL5518371 | 0.86 | CYP1A2 (0.48) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL27906724 | 0.84 | HRH3 (0.35) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL1936290 | 0.82 | FFAR3 (0.33) | SMN1; SMN2CYP2C9ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL4815638 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL4815629 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL13827674 | 0.80 | — | — | |
| SCHEMBL24723406 | 0.80 | GRM3 (0.33) | CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |
| WO-2017024180-A1 | VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2017-02-09 | — | — | WO | disclosed |