Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 11/20 | 0.77 |
| ▸ | ACACA | Q13085 | 9/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PRCP | P42785 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL640385 | 0.88 | ACACB (0.65) | ACACBACACAALDH1A1MAPTHPGD | |
| SCHEMBL1754100 | 0.88 | ACACB (0.65) | ACACBACACAALDH1A1MAPTHPGD | |
| SCHEMBL540666 | 0.88 | ACACB (0.65) | ACACBACACAALDH1A1MAPTHPGD | |
| SCHEMBL17571990 | 0.87 | ALDH1A1 (0.61) | ACACBACACAALDH1A1MAPTHPGD | |
| SCHEMBL5043127 | 0.86 | ACACB (0.63) | ACACBACACAALDH1A1MAPTHPGD | |
| SCHEMBL9931517 | 0.82 | ROCK2 (0.61) | ACACBACACA | |
| SCHEMBL9931061 | 0.82 | ROCK2 (0.61) | ACACBACACA | |
| SCHEMBL1697693 | 0.82 | ROCK2 (0.61) | ACACBACACA | |
| SCHEMBL12001205 | 0.81 | ACACB (0.75) | ACACBACACA | |
| SCHEMBL12001658 | 0.81 | ACACB (0.75) | ACACBACACAMEN1KMT2A |
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 |