Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 15/20 | 0.38 |
| ▸ | ACACA | Q13085 | 14/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30909219 | 0.84 | SIGMAR1 (0.35) | CYP2D6CYP2C19ACACBACACA | |
| SCHEMBL8721040 | 0.84 | SIGMAR1 (0.35) | CYP2D6CYP2C19ACACBACACA | |
| SCHEMBL30908952 | 0.78 | CYP2D6 (0.45) | CYP2D6CYP2C19ACACBABCB1SLC18A3 | |
| SCHEMBL30908846 | 0.75 | HDAC3 (0.34) | ACACBACACA | |
| SCHEMBL30909231 | 0.68 | DRD2 (0.54) | CYP2D6CYP2C19ABCB1SLC18A3 | |
| SCHEMBL26298665 | 0.63 | IDO1 (0.39) | — | |
| SCHEMBL8712484 | 0.62 | HTR1A (0.60) | — | |
| SCHEMBL1157136 | 0.59 | CYP1A2 (0.49) | CYP2D6CYP2C19 | |
| SCHEMBL12467614 | 0.59 | ABCC1 (0.37) | — | |
| Butane SCHEMBL2361391 | 0.58 | PHGDH (0.45) | SLC18A3 |
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-2024073845-A1 | METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS | VALORISATION HSJ, LIMITED PARTNERSHIP (CA) | 2024-04-11 | — | — | WO | disclosed |