Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL746358 | 0.93 | NPC1 (0.46) | RAB9ANPC1ALOX5NFE2L2MAOB | |
| SCHEMBL7027348 | 0.90 | NPC1 (0.44) | RAB9ANPC1ALOX5NFE2L2MAOB | |
| SCHEMBL20858973 | 0.88 | MAOB (0.40) | RAB9ANFE2L2MAOBCYP1A2MAPT | |
| SCHEMBL20858963 | 0.88 | ABCG2 (0.51) | NFE2L2MAOBMAPTALDH1A1MEN1 | |
| SCHEMBL20858985 | 0.85 | CA1 (0.47) | MAPTSMN1; SMN2TP53ALDH1A1LMNA | |
| SCHEMBL20858956 | 0.85 | MAPT (0.54) | MAOBCYP1A1CYP1A2MAPTTP53 | |
| SCHEMBL745720 | 0.85 | ABCB1 (0.53) | RAB9ANPC1ALOX5CYP1A1CYP1A2 | |
| SCHEMBL20858990 | 0.84 | MAPT (0.45) | MAOBMAPTTDP1RELAABCB1 | |
| SCHEMBL20858978 | 0.84 | NFKB1 (0.48) | ALOX5MAOBMAPTTDP1RELA | |
| SCHEMBL20858996 | 0.83 | ABCB1 (0.51) | MAOBMAPTABCB1NPSR1 |
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-2429292-B1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | GEORGIA STATE UNIV RESEARCH FOUNDATION (US) | 2019-04-03 | — | — | EP | disclosed |