Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177065 | 0.74 | PTGS1 (0.46) | PTGS1PTGS2BRD4BRD2L3MBTL1 | |
| SCHEMBL10166466 | 0.72 | PTGS1 (0.52) | PTGS1PTGS2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7216752 | 0.68 | PTGS1 (0.39) | PTGS1PTGS2NPC1CASP3RAB9A | |
| SCHEMBL1850880 | 0.67 | EPHX2 (0.30) | — | |
| SCHEMBL17503644 | 0.64 | MEN1 (0.39) | NPC1CASP3RAB9ASMN1; SMN2MAOB | |
| SCHEMBL8754426 | 0.63 | NPC1 (0.31) | NPC1CASP3RAB9ASMN1; SMN2SENP8 | |
| SCHEMBL28064533 | 0.62 | BRD4 (0.39) | PTGS1PTGS2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2489512 | 0.62 | TSHR (0.45) | NPC1CASP3RAB9ASMN1; SMN2SENP8 | |
| SCHEMBL8340584 | 0.61 | PTGS1 (0.33) | PTGS1PTGS2BRD4BRD2 | |
| SCHEMBL2643890 | 0.61 | — | — |
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-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | claimed |