Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 2/20 | 0.42 |
| ▸ | CMA1 | P23946 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1156081 | 0.99 | KMT2A (0.56) | KMT2AMEN1FBP1KDM4EGAA | |
| SCHEMBL4794078 | 0.96 | KMT2A (0.54) | KMT2AMEN1FBP1KDM4EGAA | |
| SCHEMBL1156364 | 0.86 | CYP2C9 (0.46) | KMT2AMEN1FBP1KDM4EGAA | |
| SCHEMBL1156214 | 0.86 | ALDH1A1 (0.44) | KMT2AMEN1FBP1KDM4EALDH1A1 | |
| SCHEMBL1156099 | 0.85 | ALDH1A1 (0.51) | FBP1KDM4EGAAALDH1A1TSHR | |
| SCHEMBL1156585 | 0.85 | FBP1 (0.45) | KMT2AMEN1FBP1KDM4EALDH1A1 | |
| SCHEMBL1156551 | 0.85 | HTR6 (0.43) | KMT2AMEN1FBP1KDM4EALDH1A1 | |
| SCHEMBL1156490 | 0.84 | ALDH1A1 (0.49) | KMT2AMEN1FBP1KDM4EGAA | |
| SCHEMBL5436271 | 0.79 | MEN1 (0.62) | KMT2AMEN1FBP1KDM4EGAA | |
| SCHEMBL1156354 | 0.78 | KMT2A (0.49) | KMT2AMEN1FBP1KDM4EGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |