Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 12/20 | 0.46 |
| ▸ | CNR1 | P21554 | 10/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5425933 | 0.83 | CNR2 (0.57) | CNR2CNR1TRPV1 | |
| SCHEMBL11827505 | 0.82 | PTGS2 (0.44) | KDM4ETP53CYP3A4MAPTALOX15 | |
| SCHEMBL31320410 | 0.81 | PTGS2 (0.43) | KDM4ETP53CYP3A4MAPTALOX15 | |
| SCHEMBL31320401 | 0.81 | PTGS2 (0.43) | KDM4ETP53CYP3A4MAPTALOX15 | |
| SCHEMBL14769508 | 0.80 | CNR2 (0.48) | KDM4ETP53CYP3A4MAPTALOX15 | |
| SCHEMBL23601974 | 0.80 | CNR2 (0.55) | CNR2CNR1TRPV1 | |
| SCHEMBL10653170 | 0.78 | CNR1 (0.61) | CNR2CNR1PTGS2 | |
| SCHEMBL31320360 | 0.77 | CNR2 (0.42) | KDM4ETP53CYP3A4MAPTALOX15 | |
| SCHEMBL10724501 | 0.76 | CNR2 (0.58) | CNR2CNR1TRPV1 | |
| SCHEMBL23461341 | 0.75 | CNR2 (0.48) | KDM4ETP53CYP3A4MAPTALOX15 |
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-5498419-A | SIDE EFFECT REDUCTION | PARS HARRY G (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1995033429-A1 | FUMARATE SALT OF 4-(DIETHYL-3-(1-METHYLOCTYL)- 7, 8, 9, 10-TETRAHYDRO-6, 6, 9-TRIMETHYL-6H-DIBENZO[B, D]PYRAN-1-OL, 4-(DIETHYL-AMINO)BUTYRIC ACID ESTER | PARS HARRY G (US) | 1995-12-14 | — | — | WO | disclosed |