Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 4/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21166146 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL29488003 | 0.79 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL22060805 | 0.76 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL28097890 | 0.76 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL16877119 | 0.76 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL21471164 | 0.75 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL30071467 | 0.73 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL17051159 | 0.73 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL10887936 | 0.73 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL28175220 | 0.72 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108024970-A | Substituted heterocyclic derivatives as CDK inhibitors | 奥瑞基尼探索技术有限公司 | 2018-05-11 | — | — | CN | disclosed |