Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.36 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | GPR183 | P32249 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989802 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL14779954 | 0.85 | GAA (0.44) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL11106957 | 0.84 | TAAR1 (0.41) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL3273807 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL27671625 | 0.79 | CYP2C19 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL9545396 | 0.79 | CYP2C19 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL7783601 | 0.78 | TNNC1 (0.54) | SLC6A2LMNATNNC1SGPL1S1PR4 | |
| SCHEMBL31427515 | 0.78 | SLC6A2 (0.45) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL2212796 | 0.77 | TNNC1 (0.49) | SLC6A2TAAR1CSNK1ESMN1; SMN2TNNC1 | |
| SCHEMBL10883736 | 0.77 | CSNK1E (0.40) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 |
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-6277871-B1 | ANTICANCER AGENTS | ABBOTT LABORATORIES | 2001-08-21 | — | — | US | disclosed |