Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SGK1 | O00141 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27931866 | 0.81 | CYP11B1 (0.39) | PTGS2ALDH1A1MAPTCYP11B1CYP11B2 | |
| SCHEMBL16838822 | 0.81 | PTGS2 (0.38) | PTGS2ALDH1A1MAPTCYP11B1CYP11B2 | |
| SCHEMBL27913649 | 0.81 | CYP11B1 (0.39) | PTGS2ALDH1A1MAPTCYP11B1CYP11B2 | |
| SCHEMBL27913679 | 0.81 | PTGS2 (0.37) | PTGS2ALDH1A1MAPTCYP11B1CYP11B2 | |
| SCHEMBL19430888 | 0.79 | LMNA (0.41) | PTGS2ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL27913663 | 0.78 | MAPT (0.32) | ALDH1A1MAPTCYP17A1SCN9AMEN1 | |
| SCHEMBL2715083 | 0.77 | PTGS2 (0.38) | PTGS2ALDH1A1MAPTLMNACNR2 | |
| SCHEMBL4550333 | 0.77 | PTGS2 (0.38) | PTGS2ALDH1A1MAPTCYP17A1CYP1A2 | |
| SCHEMBL2715192 | 0.77 | PTGS2 (0.40) | PTGS2MAPTPTGS1LMNACNR2 | |
| SCHEMBL2716361 | 0.77 | NOTUM (0.41) | PTGS2ALDH1A1MAPTLMNASCN9A |
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-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | disclosed |