Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL22319904 | 1.00 | PDK1 (0.37) | PDK1CHRNB2CHRNA4GRM3NPC1 | |
| SCHEMBL31738154 | 0.88 | AKR1C3 (0.37) | PDK1CHRNB2CHRNA4GRM3NPC1 | |
| SCHEMBL8574641 | 0.82 | PDK1 (0.43) | PDK1GRM3NPC1RAB9APOLB | |
| SCHEMBL5233789 | 0.82 | POLB (0.40) | GRM3NPC1RAB9APOLBSPHK1 | |
| SCHEMBL25385274 | 0.81 | MEN1 (0.47) | ALDH1A1MEN1KMT2A | |
| SCHEMBL22366372 | 0.80 | CTSL (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22319963 | 0.80 | CTSL (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7288809 | 0.80 | PTGIR (0.37) | CHRNB2CHRNA4GRM3CHRNB4CHRNA3 | |
| SCHEMBL7289057 | 0.80 | PTGIR (0.37) | CHRNB2CHRNA4GRM3CHRNB4CHRNA3 | |
| SCHEMBL7288816 | 0.80 | PTGIR (0.37) | CHRNB2CHRNA4GRM3CHRNB4CHRNA3 |
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-3700911-A1 | NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Les Laboratoires Servier SAS (FR) | 2020-09-02 | — | — | EP | disclosed |