Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159347 | 1.00 | PGR (0.47) | PGRADORA3PTGS1SLC6A2NPC1 | |
| SCHEMBL7168502 | 0.89 | PGR (0.48) | PGRADORA3PTGS1SLC6A2NPC1 | |
| SCHEMBL27509185 | 0.89 | PGR (0.48) | PGRADORA3PTGS1SLC6A2NPC1 | |
| SCHEMBL11306127 | 0.81 | CTSK (0.58) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL11306130 | 0.81 | CTSK (0.58) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL27492979 | 0.81 | PGR (0.47) | PGRADORA3PTGS1SLC6A2NPC1 | |
| SCHEMBL30476761 | 0.79 | HDAC6 (0.48) | PGRADORA3PTGS1SLC6A2NPC1 | |
| SCHEMBL7240649 | 0.78 | CTSL (0.46) | SMN1; SMN2LMNAALDH1A1CTSLCTSB | |
| SCHEMBL7165402 | 0.78 | CTSL (0.46) | SMN1; SMN2LMNAALDH1A1CTSLCTSB | |
| SCHEMBL7160572 | 0.76 | NPC1 (0.53) | PGRADORA3PTGS1SLC6A2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1341593-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1341590-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1341592-A | Proteinase inhibitor | SMITHKLINE BEECHEM CORP (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1207095-A | Protease inhibitors | SMITHKLINE BEECHAM CORP (US) | 1999-02-03 | — | — | CN | disclosed |