Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CTSC | P53634 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6661590 | 1.00 | RAB9A (0.50) | RAB9ACYP2C19CTSSCTSKCNR2 | |
| SCHEMBL25721680 | 0.86 | RAB9A (0.54) | RAB9ACYP2C19CTSSCTSKL3MBTL1 | |
| SCHEMBL7362447 | 0.85 | CYP2C19 (0.60) | RAB9ACYP2C19CTSSCTSKL3MBTL1 | |
| SCHEMBL7362451 | 0.85 | CYP2C19 (0.60) | RAB9ACYP2C19CTSSCTSKL3MBTL1 | |
| SCHEMBL16684110 | 0.85 | CYP2C19 (0.51) | RAB9ACYP2C19CTSSCTSKCNR2 | |
| SCHEMBL14164208 | 0.82 | CTSK (0.68) | RAB9ACYP2C19CTSSCTSKCNR2 | |
| SCHEMBL13350918 | 0.82 | RAB9A (0.50) | RAB9ACYP2C19CTSSCTSKL3MBTL1 | |
| SCHEMBL19051490 | 0.80 | HDAC6 (0.53) | HDAC1HDAC6NPC1 | |
| SCHEMBL9727077 | 0.80 | CYP2C19 (0.66) | RAB9ACYP2C19L3MBTL1NPC1LMNA | |
| SCHEMBL14861287 | 0.79 | HDAC6 (0.70) | HDAC1HDAC6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1030854-B1 | CATALYSTS FOR ASYMMETRIC SYNTHESIS CONTAINING RIGID CHIRAL LIGANDS | PENN STATE RES FOUND (US) | 2004-08-18 | — | — | EP | disclosed |
| US-6380416-B2 | CHIRAL BIDENTATE PHOSPHINE LIGANDS WITH CYCLIC RINGS TO RESTRICT CONFORMATIONAL FLEXIBILITY OF THE LIGANDS TO ENHANCE EFFICIENCY; STEREOSELECTIVE HYDROGENATION OF KETONES TO ALCOHOLS, AND A-ACETOAMIDOCINNAMIC ACID TO ACYLAMINO ACIDS | THE PENN STATE RESEARCH FOUNDATION | 2002-04-30 | — | — | US | disclosed |
| US-6278024-B1 | AS CATALYSTS FOR ASSYMETRIC SYNTHESIS | THE PENN STATE RESEARCH FOUNDATION | 2001-08-21 | — | — | US | disclosed |
| US-6207868-B1 | BASED ON CHIRAL BIDENTATE PHOSPHINE LIGANDS WITH CYCLIC RING STRUCTURES TO RESTRICT CONFORMATIONAL FLEXIBILITY, ASYMMETRIC SYNTHESIS OF ALCOHOLS BY ENANTIOSELECTIVE HYDROGENATION OF KETONES CATALYZED BY THE CHIRAL LIGANDS | THE PENN STATE RESEARCH FOUNDATION | 2001-03-27 | — | — | US | disclosed |
| CN-1281460-A | Catalysts for asymmetric synthesis containing rigid chiral ligands | PENN STATE RES FOUND (US) | 2001-01-24 | — | — | CN | disclosed |