Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 5/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13263319 | 0.80 | KDM5A (0.36) | ADORA2AADORA1KDRCDK1NPSR1 | |
| SCHEMBL13150859 | 0.78 | NPC1 (0.45) | KMT2AALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2875272 | 0.78 | ALDH1A1 (0.46) | ADORA2AADORA1KDRLRRK2CDK1 | |
| SCHEMBL11203920 | 0.77 | ADORA2A (0.68) | ADORA2AADORA1KDRCDK1KMT2A | |
| SCHEMBL7260003 | 0.76 | NPSR1 (0.54) | ADORA2AADORA1KDRCDK1NPSR1 | |
| SCHEMBL11260015 | 0.76 | ADORA2A (0.57) | ADORA2AADORA1KDRNPSR1ALDH1A1 | |
| SCHEMBL4098956 | 0.76 | ADORA2A (0.49) | ADORA2AADORA1KDRCDK1NPSR1 | |
| SCHEMBL8296347 | 0.75 | ALDH1A1 (0.52) | ADORA2AADORA1KDRCDK1NPSR1 | |
| SCHEMBL2879745 | 0.75 | ADORA2A (0.45) | ADORA2AADORA1KDRCDK1NPSR1 | |
| SCHEMBL2872592 | 0.73 | CSNK1A1 (0.35) | ADORA2AADORA1KDRLRRK2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010083501-A2 | ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-07-22 | — | — | WO | disclosed |
| WO-2010083501-A2 | ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-07-22 | — | — | WO | disclosed |