Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22129297 | 1.00 | HCAR3 (0.38) | HCAR3MAPTPKMMEN1KMT2A | |
| SCHEMBL29743229 | 1.00 | HCAR3 (0.38) | HCAR3MAPTPKMMEN1KMT2A | |
| SCHEMBL29743215 | 1.00 | HCAR3 (0.38) | HCAR3MAPTPKMMEN1KMT2A | |
| SCHEMBL22129300 | 0.89 | HCAR3 (0.39) | HCAR3MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL22129301 | 0.89 | HCAR3 (0.39) | HCAR3MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL23749384 | 0.89 | HCAR3 (0.39) | HCAR3MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL18152724 | 0.85 | HCAR3 (0.47) | HCAR3MAPTPKMMEN1KMT2A | |
| SCHEMBL21522752 | 0.84 | HCAR3 (0.36) | HCAR3MAPTPKMMEN1KMT2A | |
| SCHEMBL22129298 | 0.82 | ADRB2 (0.33) | MAPTALDH1A1HTTSMN1; SMN2GAA | |
| SCHEMBL22129305 | 0.82 | ADRB2 (0.33) | MAPTALDH1A1HTTSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020125513-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 凯复制药有限公司 | 2020-06-25 | — | — | WO | disclosed |