Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.62 |
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.62 |
| ▸ | CA1 | P00915 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12498922 | 0.80 | CA12 (0.61) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL19399052 | 0.80 | NPC1 (0.62) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL12499755 | 0.77 | CA12 (0.57) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL15574655 | 0.73 | CA12 (0.57) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL15574652 | 0.73 | CA12 (0.57) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL437870 | 0.73 | CYP2C9 (0.58) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL406907 | 0.73 | CYP2C9 (0.58) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL15548574 | 0.73 | CYP2C9 (0.55) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL15548576 | 0.73 | CYP2C9 (0.55) | CA12CA2CA9CA1NPC1 | |
| SCHEMBL15547372 | 0.71 | HDAC4 (0.79) | CA12CA2CA9CA1NPC1 |
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-2023150377-A1 | SMALL MOLECULE CXCR4 AGONISTS, METHOD OF SYNTHESIS, AND METHOD OF USE | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2023-08-10 | — | — | WO | disclosed |