Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 8/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27148030 | 0.81 | NPC1 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL30893045 | 0.81 | NPC1 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL434004 | 0.74 | NPC1 (0.50) | CYP11B1CYP11B2NPC1MAPK13MAPK12 | |
| SCHEMBL12559751 | 0.74 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP1A2NPC1MAPK13 | |
| Hydrochloric Acid SCHEMBL29961795 | 0.73 | NPC1 (0.48) | CYP11B1CYP11B2NPC1MAPK13MAPK12 | |
| SCHEMBL10911499 | 0.73 | KDM4E (0.39) | ALDH1A1HTR2ATP53 | |
| SCHEMBL12559620 | 0.73 | CES1 (0.43) | CYP11B1CYP11B2CYP1A2PKMAHR | |
| SCHEMBL24427466 | 0.71 | PKM (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14494366 | 0.71 | PDE3B (0.46) | CYP11B1CYP11B2CYP1A2NPC1MAPK13 | |
| SCHEMBL30893019 | 0.71 | SRD5A1 (0.40) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3772513-A1 | SHP2 INHIBITORS | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2021-02-10 | — | — | EP | disclosed |