Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3261111 | 1.00 | AURKA (0.50) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL5778251 | 0.90 | CYP2A6 (0.48) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL5778241 | 0.90 | CYP2A6 (0.48) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL5778253 | 0.90 | CYP2A6 (0.48) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL3259934 | 0.85 | CYP2A6 (0.46) | AURKACYP2A6BACE1THRATHRB | |
| SCHEMBL3259931 | 0.85 | CYP2A6 (0.46) | AURKACYP2A6BACE1THRATHRB | |
| SCHEMBL9372440 | 0.82 | AURKA (0.50) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL9372435 | 0.82 | AURKA (0.50) | AURKACYP2A6BACE1MAOACCNC | |
| SCHEMBL3261113 | 0.80 | CYP2A6 (0.51) | AURKACYP2A6BACE1MAOAESR1 | |
| SCHEMBL5781331 | 0.79 | CYP2A6 (0.48) | CYP2A6BACE1MAOACCNCCDK8 |
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-2010011147-A1 | INDOLE COMPOUNDS | THIA MEDICA AS (NO) | 2010-01-28 | — | — | WO | disclosed |