Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 9/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19220421 | 0.91 | TP53 (0.39) | TP53CYP3A4TSHRHIF1AALDH1A1 | |
| SCHEMBL138905 | 0.87 | TP53 (0.37) | TP53CYP3A4TSHRHIF1AALDH1A1 | |
| SCHEMBL17848588 | 0.85 | SMN1; SMN2 (0.43) | TP53CYP3A4TSHRHIF1AALDH1A1 | |
| SCHEMBL20641757 | 0.85 | MEN1 (0.46) | TSHRLMNAMAPK1MTNR1AMTNR1B | |
| SCHEMBL4629784 | 0.85 | MAOB (0.42) | TP53CYP3A4TSHRMAOBLMNA | |
| SCHEMBL1978791 | 0.84 | TP53 (0.35) | TP53CYP3A4TSHRHIF1AALDH1A1 | |
| SCHEMBL172617 | 0.84 | ACHE (0.56) | ALDH1A1MAOBLMNA | |
| SCHEMBL21246500 | 0.84 | APP (0.42) | TP53CYP3A4TSHRHIF1AALDH1A1 | |
| SCHEMBL542315 | 0.84 | MAOB (0.60) | ALDH1A1MAOBLMNA | |
| SCHEMBL13682853 | 0.84 | MAOB (0.36) | TP53CYP3A4TSHRHIF1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008080015-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| EP-1893612-A1 | PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2007002433-A1 | PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| US-6436961-B1 | SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES | PFIZER INC | 2002-08-20 | — | — | US | disclosed |