Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399057 | 0.95 | LTB4R2 (0.47) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL5068716 | 0.82 | ALDH1A1 (0.44) | NPC1RAB9ATP53LTB4R2 | |
| Hydrochloric Acid SCHEMBL6557848 | 0.80 | ALDH1A1 (0.43) | NPC1RAB9ATP53LTB4R2 | |
| SCHEMBL2984167 | 0.78 | NPC1 (0.53) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL18240156 | 0.77 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL7643097 | 0.77 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL12472589 | 0.77 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL28533625 | 0.77 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL18240146 | 0.77 | NPC1 (0.54) | NPC1JAK2RAB9APAX8CES2 | |
| SCHEMBL27351408 | 0.77 | CES2 (0.50) | NPC1JAK2RAB9APAX8CES2 |
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-2005018541-A2 | COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE | PHARMACIA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |