Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17086575 | 0.80 | TDP1 (0.46) | CYP2A6NPC1TSHRFBP1TDP1 | |
| SCHEMBL14304177 | 0.80 | TDP1 (0.46) | CYP2A6NPC1TSHRFBP1TDP1 | |
| SCHEMBL19099664 | 0.78 | ALDH1A1 (0.45) | CYP2A6PTGS1PTGS2CA1TSHR | |
| SCHEMBL15216491 | 0.74 | FBP1 (0.44) | CYP2A6PTGS1PTGS2RAB9ANPC1 | |
| SCHEMBL28552488 | 0.74 | FBP1 (0.44) | CYP2A6PTGS1PTGS2RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL5256861 | 0.67 | CYP2A6 (0.46) | CYP2A6PTGS1PTGS2RAB9ANPC1 | |
| SCHEMBL9631776 | 0.65 | FBP1 (0.48) | CYP2A6RAB9ANPC1SMN1; SMN2CA1 | |
| SCHEMBL2928194 | 0.64 | CYP2A6 (0.48) | CYP2A6PTGS1PTGS2RAB9ANPC1 | |
| SCHEMBL9542650 | 0.64 | CYP2A6 (0.48) | CYP2A6PTGS1PTGS2RAB9ANPC1 | |
| SCHEMBL355282 | 0.63 | — | — |
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-2017093897-A1 | AROMATIC-CATIONIC PEPTIDES CONJUGATED TO ANTIOXIDANTS AND THEIR USE IN TREATING COMPLEX REGIONAL PAIN SYNDROME | SCHILLER PETER (CA) | 2017-06-08 | — | — | WO | disclosed |