Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | PAM | P19021 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28922059 | 0.82 | KMT2A (0.48) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL6117756 | 0.82 | KMT2A (0.48) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL28403866 | 0.81 | KMT2A (0.52) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL28866655 | 0.79 | TSHR (0.56) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL29396249 | 0.79 | TSHR (0.56) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL28866657 | 0.79 | TSHR (0.56) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL8823886 | 0.79 | KMT2A (0.52) | KMT2AMAPTCES2CES1AKR1B1 | |
| SCHEMBL7354141 | 0.78 | USP2 (0.46) | TSHRALDH1A1ALOX15 | |
| SCHEMBL11722191 | 0.77 | TSHR (0.56) | KMT2ATSHRALDH1A1MEN1ALOX15 | |
| SCHEMBL6580043 | 0.76 | TDP1 (0.43) | TSHRALDH1A1TDP1ALOX15 |
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-1997033882-A9 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | — | 1998-02-26 | — | — | WO | disclosed |