Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.49 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | PDE2A | O00408 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.44 |
| ▸ | EEF2K | O00418 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12184910 | 0.86 | UTS2R (0.45) | PDE2AUTS2RCNR2EEF2KCES2 | |
| SCHEMBL5364020 | 0.82 | THRB (0.45) | PDE2AUTS2RCNR2EEF2K | |
| SCHEMBL14334381 | 0.82 | ACP3 (0.47) | PDE2AUTS2RCNR2EEF2KCYP3A4 | |
| SCHEMBL185572 | 0.80 | ALDH1A1 (0.68) | GPR139KCNA5ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27204298 | 0.79 | GPR139 (0.48) | GPR139KCNA5PDE2AFAAHUTS2R | |
| SCHEMBL27160062 | 0.79 | GPR139 (0.48) | GPR139KCNA5PDE2AFAAHUTS2R | |
| SCHEMBL29236419 | 0.79 | CNR2 (0.53) | UTS2RSMN1; SMN2CNR2FPR2EEF2K | |
| SCHEMBL29236420 | 0.79 | CNR2 (0.53) | UTS2RSMN1; SMN2CNR2FPR2EEF2K | |
| SCHEMBL13683329 | 0.78 | ACACB (0.55) | PDE2A | |
| SCHEMBL14277949 | 0.78 | ROCK2 (0.47) | ALDH1A1LMNASMN1; SMN2 |
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-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |
| WO-1999059721-A1 | CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-11-25 | — | — | WO | disclosed |