Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 11/20 | 0.42 |
| ▸ | MC5R | P33032 | 3/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.39 |
| ▸ | MC3R | P41968 | 2/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30338447 | 0.80 | CXCR4 (0.52) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL7104696 | 0.76 | CXCR4 (0.61) | CXCR4 | |
| SCHEMBL31059309 | 0.76 | CXCR4 (0.61) | CXCR4 | |
| SCHEMBL21055028 | 0.76 | HDAC1 (0.68) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL13909820 | 0.74 | HDAC1 (0.76) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL13909521 | 0.74 | HDAC1 (0.56) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL5575215 | 0.74 | HDAC1 (0.65) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL5575207 | 0.73 | CXCR4 (0.50) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4562865 | 0.72 | HDAC1 (0.69) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4887341 | 0.72 | HDAC1 (0.69) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3874027-A2 | METHODS FOR HEMATOPOIETIC STEM AND PROGENITOR CELL TRANSPLANT THERAPY | Magenta Therapeutics, Inc. (US) | 2021-09-08 | — | — | EP | disclosed |