Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7731897 | 0.87 | TDP1 (0.42) | LMNACES2CES1PKMMAPT | |
| SCHEMBL7731880 | 0.86 | SMN1; SMN2 (0.43) | LMNAL3MBTL1MAPTNPC1RAB9A | |
| SCHEMBL7733591 | 0.83 | MAPT (0.42) | LMNAL3MBTL1MAPTNPC1RAB9A | |
| SCHEMBL7733858 | 0.81 | MEN1 (0.43) | LMNACES2CES1PKMMAPT | |
| SCHEMBL14247743 | 0.76 | CA1 (0.49) | CA1CA2CES2CES1PLK1 | |
| SCHEMBL14247744 | 0.76 | CA1 (0.49) | CA1CA2CES2CES1PLK1 | |
| SCHEMBL14620126 | 0.75 | CA1 (0.45) | CA1CA2LMNAL3MBTL1CES2 | |
| SCHEMBL7915810 | 0.71 | PLK1 (0.71) | CA1CA2CES2CES1PLK1 | |
| SCHEMBL5372384 | 0.68 | CA1 (0.55) | CA1CA2LMNACES2CES1 | |
| SCHEMBL7733569 | 0.68 | MAPT (0.59) | CA1CA2CES2CES1PLK1 |
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 |