Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17864484 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TSHR | |
| SCHEMBL13080893 | 0.81 | TSHR (0.40) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL9450186 | 0.81 | TSHR (0.40) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL18149047 | 0.79 | CYP4F2 (0.43) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL28184686 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL5852063 | 0.76 | TSHR (0.43) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL13894974 | 0.75 | TSHR (0.41) | ALDH1A1CES2TSHRCES1ATM | |
| SCHEMBL9771379 | 0.74 | ELANE (0.44) | ALDH1A1TSHRATMCYP4F2CYP4A11 | |
| SCHEMBL1417855 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP4F2CYP4A11 | |
| SCHEMBL28353238 | 0.73 | CES2 (0.57) | CES2TSHRCES1PLA2G2CNAAA |
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-103797001-A | Benzothiazole compounds and pharmaceutical use thereof | GILEAD SCIENCES INC | 2014-05-14 | — | — | CN | disclosed |