Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL8534398 | 0.86 | GSK3B (0.66) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL8553654 | 0.84 | CES2 (0.65) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL19520441 | 0.82 | GSK3B (0.61) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL21565745 | 0.82 | GSK3B (0.61) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL786834 | 0.82 | GSK3B (0.72) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL19866845 | 0.82 | GSK3B (0.61) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL5951864 | 0.82 | GSK3B (0.61) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL14392841 | 0.82 | GSK3B (0.61) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL28673534 | 0.80 | GSK3B (0.63) | GSK3BCES2CES1SRD5A2NR4A1 | |
| SCHEMBL28853761 | 0.80 | GSK3B (0.63) | GSK3BCES2CES1SRD5A2NR4A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7863444-B2 | 4-aminopyrrolopyrimidines as kinase inhibitors | ABBOTT LABORATORIES (US) | 2011-01-04 | — | — | US | disclosed |
| CN-1326457-A | 4-aminopyrrolopyrimidines as kinase inhibitors | BASF AG (DE) | 2001-12-12 | — | — | CN | disclosed |