Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 11/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12233680 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL8989794 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL908579 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL17286254 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL14367947 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL25305403 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL4488178 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL4488180 | 1.00 | SLC18A3 (0.74) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL11346322 | 0.97 | SLC18A3 (0.72) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6597975 | 0.97 | SLC18A3 (0.72) | SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |