Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT1 | P34896 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 10/20 | 0.39 |
| ▸ | PTGES | O14684 | 4/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 2/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23582980 | 0.88 | PLAU (0.38) | SHMT1TBXA2RSHMT2PLGPLAU | |
| SCHEMBL23582476 | 0.87 | SHMT1 (0.40) | SHMT1SHMT2PTGES2PTGESATM | |
| SCHEMBL31357705 | 0.86 | CTSL (0.35) | SHMT1SHMT2ATMPLGPLAU | |
| SCHEMBL28809392 | 0.86 | CTSL (0.35) | SHMT1SHMT2ATMPLGPLAU | |
| SCHEMBL23582709 | 0.84 | BTK (0.39) | SHMT1TBXA2RSHMT2PTGES2PTGES | |
| SCHEMBL23582649 | 0.83 | TBXA2R (0.43) | TBXA2RPTGES2PTGESTBXAS1CYP2C9 | |
| SCHEMBL23582350 | 0.81 | SHMT1 (0.40) | SHMT1TBXA2RSHMT2PTGES2PTGES | |
| SCHEMBL23583009 | 0.76 | LTB4R (0.37) | SHMT1TBXA2RSHMT2PLGPLAU | |
| SCHEMBL23582392 | 0.75 | PDK1 (0.42) | CYP2C9SLC22A12 | |
| SCHEMBL31357691 | 0.75 | PLAU (0.36) | PLGPLAUPLAT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021133035-A1 | NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF | 주식회사 엘지화학 | 2021-07-01 | — | — | WO | disclosed |