Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | CCNK | O75909 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400234 | 0.91 | YEATS4 (0.39) | NPC1ALDH1A1MAPTRAB9AKDM4E | |
| SCHEMBL3402586 | 0.91 | YEATS4 (0.36) | NPC1ALDH1A1MAPTRAB9AKDM4E | |
| SCHEMBL3401648 | 0.90 | YEATS4 (0.38) | NPC1ALDH1A1MAPTRAB9AKDM4E | |
| SCHEMBL1892784 | 0.82 | JAK3 (0.41) | PKLRJAK3 | |
| SCHEMBL14795160 | 0.81 | SYK (0.37) | VNN1NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL1368921 | 0.78 | JAK3 (0.51) | JAK3 | |
| SCHEMBL1893368 | 0.77 | JAK3 (0.38) | JAK3 | |
| SCHEMBL3391851 | 0.77 | MAPK1 (0.37) | HTR1ASMN1; SMN2JAK3 | |
| SCHEMBL3401584 | 0.76 | MAPK1 (0.36) | NPC1ALDH1A1RAB9ASMN1; SMN2PKM | |
| SCHEMBL3401563 | 0.76 | HPGD (0.38) | NPC1ALDH1A1RAB9APKMJAK3 |
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-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |