Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068432 | 1.00 | LTA4H (0.49) | LTA4HHPGDCYP3A4TSHRSLC15A1 | |
| SCHEMBL9332747 | 0.93 | EPHX2 (0.53) | LTA4HHPGDCES2CES1PSMB5 | |
| SCHEMBL932749 | 0.93 | EPHX2 (0.53) | LTA4HHPGDCES2CES1PSMB5 | |
| SCHEMBL29060844 | 0.82 | CYP3A4 (0.58) | HPGDCYP3A4TSHRSLC15A1MAPK1 | |
| SCHEMBL21306740 | 0.82 | KEAP1 (0.59) | HPGDCYP3A4TSHRSLC15A1MAPK1 | |
| SCHEMBL21468925 | 0.82 | KEAP1 (0.59) | HPGDCYP3A4TSHRSLC15A1MAPK1 | |
| SCHEMBL13545160 | 0.82 | HPGD (0.54) | HPGDCYP3A4TSHRSLC15A1MAPK1 | |
| SCHEMBL31112245 | 0.82 | HPGD (0.54) | HPGDCYP3A4TSHRSLC15A1MAPK1 | |
| SCHEMBL13515476 | 0.81 | LTA4H (0.73) | LTA4HSLC15A1ACE | |
| SCHEMBL13254529 | 0.81 | LTA4H (0.44) | LTA4HHPGDCYP3A4TSHRSLC15A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751927-A4 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INST OF TECHN (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0751927-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5488131-A | Synthesis of compounds with predetermined chirality | CALIFORNIA INSTITUTE OF TECHNOLOGY | 1996-01-30 | — | — | US | disclosed |
| WO-1995025714-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-09-28 | — | — | WO | disclosed |