Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5772870 | 0.92 | POLB (0.33) | POLBSMN1; SMN2LMNACRHR1MAPK1 | |
| Trifluoroacetic Acid SCHEMBL5039148 | 0.92 | PKM (0.33) | POLBSMN1; SMN2LMNAKMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5048824 | 0.90 | CRHR1 (0.40) | HTTPOLBSMN1; SMN2KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5039802 | 0.87 | CACNA1B (0.34) | CRHR1 | |
| SCHEMBL5776557 | 0.85 | CRHR1 (0.35) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5044836 | 0.84 | CRHR1 (0.36) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5048861 | 0.84 | MAPT (0.34) | POLBSMN1; SMN2CRHR1HPGD | |
| SCHEMBL5778787 | 0.83 | CRHR1 (0.33) | CRHR1 | |
| SCHEMBL5518460 | 0.82 | CRHR1 (0.37) | CRHR1HPGDMAPK1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL5525916 | 0.80 | NR1H2 (0.35) | CRHR1 |
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-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| US-7268146-B2 | Ring fused pyrazole derivatives as CRF antagonists | PALO ALTO LLC (US) | 2007-09-11 | — | — | US | disclosed |