Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 9/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | HPGD | P15428 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399596 | 0.92 | JAK2 (0.41) | ALDH1A1HPGDKMT2ABCHE | |
| SCHEMBL3396668 | 0.82 | KIT (0.36) | MAPTALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1894044 | 0.80 | JAK3 (0.51) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL3397744 | 0.80 | NPC1 (0.41) | NPC1RAB9AKIT | |
| SCHEMBL3398248 | 0.79 | MAPK1 (0.40) | NPC1RAB9A | |
| SCHEMBL3396888 | 0.78 | MAPK1 (0.37) | — | |
| SCHEMBL3396527 | 0.77 | ADORA2A (0.47) | KDM4E | |
| SCHEMBL3393919 | 0.77 | MAP4K1 (0.40) | MAPTKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL3399105 | 0.77 | JAK3 (0.39) | NPC1RAB9AMAPTSMN1; SMN2KMT2A | |
| SCHEMBL3396088 | 0.76 | JAK3 (0.42) | NPC1RAB9AMAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| 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 |