Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UTS2R | Q9UKP6 | 10/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL7733448 | 1.00 | UTS2R (0.40) | UTS2RRPS6KB1CNR2ALDH1A1BRD4 | |
| SCHEMBL7734496 | 0.87 | ADORA2A (0.46) | UTS2RCNR2ALDH1A1ACACB | |
| SCHEMBL7733835 | 0.87 | ADORA2A (0.46) | UTS2RCNR2ALDH1A1ACACB | |
| SCHEMBL7723794 | 0.86 | MEN1 (0.50) | CNR2ACACB | |
| SCHEMBL7736428 | 0.86 | MEN1 (0.50) | CNR2ACACB | |
| SCHEMBL7731987 | 0.86 | MAPK1 (0.42) | ALDH1A1 | |
| SCHEMBL7733850 | 0.86 | MAPK1 (0.42) | ALDH1A1 | |
| SCHEMBL7733583 | 0.85 | TSHR (0.49) | ALDH1A1 | |
| SCHEMBL7733440 | 0.85 | TSHR (0.49) | ALDH1A1 | |
| SCHEMBL7733582 | 0.83 | MEN1 (0.54) | ALDH1A1ACACB |
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 |