Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6987816 | 0.89 | NPC1 (0.54) | HDAC6HDAC1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27492977 | 0.82 | NPC1 (0.53) | HDAC6HDAC1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7160572 | 0.82 | NPC1 (0.53) | HDAC6HDAC1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30764688 | 0.82 | CTSK (0.59) | SMN1; SMN2LMNAMAPTCTSLCTSB | |
| SCHEMBL7469120 | 0.82 | CTSK (0.59) | SMN1; SMN2LMNAMAPTCTSLCTSB | |
| SCHEMBL7086316 | 0.81 | NPC1 (0.52) | HDAC6HDAC1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24021103 | 0.80 | HDAC6 (0.53) | HDAC6HDAC1NLRP3CTSSCTSK | |
| SCHEMBL29063032 | 0.80 | HDAC6 (0.53) | HDAC6HDAC1NLRP3CTSSCTSK | |
| SCHEMBL30008654 | 0.80 | HDAC6 (0.53) | HDAC6HDAC1NLRP3CTSSCTSK | |
| SCHEMBL25762965 | 0.77 | HDAC6 (0.57) | HDAC6HDAC1SMN1; SMN2LMNAMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | claimed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | claimed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | claimed |
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |