Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19099135 | 0.83 | MAPK1 (0.45) | L3MBTL1MAPK1MAPTSMN1; SMN2EIF2AK3 | |
| SCHEMBL30340615 | 0.79 | ALDH1A1 (0.56) | HTR2AHTR2CL3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL13041061 | 0.75 | HTR2A (0.56) | HTR2AHTR2CL3MBTL1RAB9AMAPK1 | |
| SCHEMBL3071409 | 0.75 | HTR2A (0.56) | HTR2AHTR2CL3MBTL1MAPTALDH1A1 | |
| SCHEMBL8909599 | 0.74 | HTR2A (0.52) | HTR2AHTR2CL3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL12919994 | 0.74 | HTR2A (0.53) | HTR2AHTR2CL3MBTL1MAPK1MAPT | |
| SCHEMBL8905312 | 0.73 | HTR2A (0.53) | HTR2AHTR2CL3MBTL1MAPK1MAPT | |
| SCHEMBL20865829 | 0.71 | MAPK1 (0.64) | MAPK1 | |
| SCHEMBL8905316 | 0.70 | HTR2A (0.49) | HTR2AHTR2CL3MBTL1MAPK1MAPT | |
| SCHEMBL20897096 | 0.69 | HTR2A (0.45) | HTR2AHTR2CRAB9AMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922405-B | Compound with ERK kinase inhibitory activity, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-02-19 | — | — | CN | disclosed |
| WO-2017114510-A1 | COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY, METHOD FOR PREPARATION THEREOF, AND USE THEREOF | 中国科学院上海药物研究所 | 2017-07-06 | — | — | WO | disclosed |