Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.66 |
| ▸ | JAK2 | O60674 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | GPX4 | P36969 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17333385 | 0.88 | TP53 (0.59) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL8795219 | 0.85 | ALDH1A1 (0.55) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL9337705 | 0.85 | NPC1 (0.77) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL19049114 | 0.85 | NPC1 (0.67) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL4167170 | 0.83 | TP53 (0.57) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL8767338 | 0.83 | NPC1 (0.60) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL13811408 | 0.82 | TP53 (0.56) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL28330285 | 0.81 | NPC1 (0.76) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL17333697 | 0.81 | ALDH1A1 (0.55) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL2069920 | 0.81 | TP53 (0.68) | NPC1RAB9APAX8JAK2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |