Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11792799 | 0.78 | CYP2A6 (0.39) | CYP2A6NR4A2NOS1DYRK1ALMNA | |
| SCHEMBL374938 | 0.77 | ALDH1A1 (0.39) | CYP2A6LMNAALDH1A1L3MBTL1 | |
| SCHEMBL3964092 | 0.76 | CCR1 (0.38) | CYP2A6NR4A2NOS1DYRK1ALMNA | |
| SCHEMBL4387539 | 0.75 | POLB (0.48) | CYP2A6NR4A2ALDH1A1TYMSPOLB | |
| SCHEMBL30800385 | 0.71 | HTT (0.38) | CYP2A6NR4A2NOS1ALDH1A1KMT2A | |
| SCHEMBL28962504 | 0.71 | HTT (0.38) | CYP2A6NR4A2NOS1ALDH1A1KMT2A | |
| SCHEMBL28327302 | 0.71 | S1PR4 (0.40) | CYP2A6NR4A2NOS1S1PR4TYMS | |
| SCHEMBL16008294 | 0.71 | CYP2A6 (0.39) | CYP2A6DYRK1ALMNAALDH1A1CHEK1 | |
| SCHEMBL28656122 | 0.69 | ALDH1A1 (0.41) | NR4A2LMNAALDH1A1KDM4EHTT | |
| SCHEMBL28130492 | 0.69 | NT5E (0.46) | NR4A2LMNAALDH1A1KDM4EHTT |
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-103562199-A | Tripeptides incorporating deuterium as inhibitors of hepatitis c virus | BRISTOL MYERS SQUIBB CO | 2014-02-05 | — | — | CN | disclosed |