Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 17/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Etafenone SCHEMBL28142810 | 0.98 | ABCB1 (0.52) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29406308 | 0.84 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL77987 | 0.84 | ABCB1 (0.67) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL29846308 | 0.83 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL219823 | 0.83 | ABCB1 (0.66) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| Etafenone SCHEMBL1651223 | 0.82 | ABCB1 (0.65) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL10426054 | 0.74 | ABCB1 (0.52) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL1331282 | 0.70 | ABCB1 (1.00) | ABCB1TSHRLMNAKCNH2MEN1 | |
| Etafenone SCHEMBL4715940 | 0.70 | ABCB1 (0.48) | ABCB1TSHRKDM4EALDH1A1LMNA | |
| SCHEMBL10123922 | 0.70 | ABCB1 (0.89) | ABCB1TSHRLMNAKCNH2MEN1 |
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-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |