Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CASP9 | P55211 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.43 |
| ▸ | KDM6B | O15054 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2563447 | 0.89 | NUDT1 (0.47) | CASP3CASP7CASP9ABCB1NPC1 | |
| SCHEMBL21056814 | 0.85 | KDM4C (0.50) | KDM4EALDH1A1SMN1; SMN2KDM4CKDM6B | |
| SCHEMBL9713678 | 0.79 | ABCB1 (0.68) | CASP3CASP7CASP9ABCB1NPC1 | |
| SCHEMBL19240247 | 0.78 | ALDH1A1 (0.45) | ABCB1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL28036420 | 0.77 | KDM6B (0.54) | NPC1SMN1; SMN2KDM4CKDM6BMAPT | |
| SCHEMBL31505147 | 0.76 | ALDH1A1 (0.43) | ABCB1KDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17150217 | 0.76 | NUDT1 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1853295 | 0.75 | KDM4C (0.52) | KDM4EALDH1A1KDM4CKDM6BMAPT | |
| Alcohol SCHEMBL28974265 | 0.74 | KDM4C (0.49) | KDM4EALDH1A1KDM4CKDM6BMAPT | |
| SCHEMBL14398405 | 0.74 | TSHR (0.50) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1934228-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | Array Biopharma, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007027855-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2007-03-08 | — | — | WO | disclosed |