Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5200688 | 0.86 | PPARA (0.42) | TSHREPHX2ACECTSSCTSK | |
| SCHEMBL5262506 | 0.82 | EPHX2 (0.33) | EPHX2ACECTSSCTSKPPARA | |
| SCHEMBL5781491 | 0.81 | ACE (0.37) | ALDH1A1EPHX2ACECTSSCTSK | |
| SCHEMBL5783679 | 0.73 | PPARA (0.41) | TSHREPHX2ACECTSSCTSK | |
| SCHEMBL4818610 | 0.73 | PTPN1 (0.42) | ALDH1A1TSHREPHX2ACECTSS | |
| SCHEMBL4821211 | 0.73 | PTPN1 (0.42) | ALDH1A1TSHREPHX2ACECTSS | |
| SCHEMBL9956802 | 0.70 | CTSS (0.56) | EPHX2ACECTSSCTSKPPARA | |
| SCHEMBL5764439 | 0.70 | MAPT (0.33) | ALDH1A1 | |
| SCHEMBL4824631 | 0.70 | PPARA (0.42) | ACECTSSCTSKPPARAPPARG | |
| SCHEMBL5197297 | 0.69 | CTSS (0.36) | ALDH1A1TSHREPHX2ACECTSS |
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-1622886-A2 | SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B | The Institutes for Pharmaceutical Discovery, LLC (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004099171-A2 | SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2004-11-18 | — | — | WO | disclosed |