Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553233 | 0.85 | CES2 (0.42) | TBXAS1CES2CES1BCL2L1MAOA | |
| SCHEMBL8676706 | 0.83 | TBXAS1 (0.65) | TBXAS1 | |
| SCHEMBL8676708 | 0.83 | TBXAS1 (0.65) | TBXAS1 | |
| SCHEMBL7413792 | 0.79 | PTPN1 (0.45) | TBXAS1CES2CES1BCL2L1MAOA | |
| SCHEMBL5636607 | 0.79 | BCL2L1 (0.42) | TBXAS1CES2CES1BCL2L1MAOA | |
| SCHEMBL11994159 | 0.79 | POLB (0.49) | TBXAS1CES2CES1BCL2L1PTPN1 | |
| SCHEMBL7736497 | 0.78 | SIGMAR1 (0.47) | TBXAS1 | |
| SCHEMBL23880653 | 0.78 | TBXAS1 (0.47) | TBXAS1CES2CES1BCL2L1PTPN1 | |
| SCHEMBL10967132 | 0.78 | PTGS2 (0.44) | TBXAS1NPC1RAB9APTGS2POLB | |
| SCHEMBL11994148 | 0.76 | HTR7 (0.50) | TBXAS1PTGS2POLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5840896-A | PREPARING 2-AMINOCARBONYL-N-(4-AMINO-2,6-DICHLOROPHENYL)-4-(5,5-BIS(4-FLUOROPHENYL) -PENTYL)-1-PIPERAZINEACETAMIDE; CYCLIZATION; HYDROGENATION CATALYSIS; REDUCTIVE N-ALKYLATION | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-11-24 | — | — | US | disclosed |
| EP-0455789-B1 | METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE | JANSSEN PHARMACEUTICA NV (BE) | 1994-03-16 | — | — | EP | disclosed |
| EP-0577171-A2 | Use of piperazine acetamide derivatives against reperfusion damage | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-01-05 | — | — | EP | disclosed |
| EP-0455789-A1 | METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE. | JANSSEN PHARMACEUTICA NV (BE) | 1991-11-13 | — | — | EP | disclosed |
| WO-1991007967-A2 | METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-06-13 | — | — | WO | disclosed |