Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6632745 | 0.97 | ALDH1A1 (0.39) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6630204 | 0.97 | ALDH1A1 (0.39) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6632750 | 0.97 | ALDH1A1 (0.39) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6632980 | 0.88 | ALDH1A1 (0.41) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL7255683 | 0.85 | LMNA (0.36) | ALDH1A1PTPN1PTPN2MTNR1AMTNR1B | |
| SCHEMBL6629847 | 0.84 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MTNR1AMTNR1B | |
| SCHEMBL6062609 | 0.83 | EPOR (0.39) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6632372 | 0.83 | PTPN1 (0.37) | ALDH1A1PTPN1PTPN2CYP2C9CYP2C19 | |
| SCHEMBL6633248 | 0.83 | LMNA (0.35) | ALDH1A1PTPN1PTPN2MTNR1AMTNR1B | |
| SCHEMBL7257005 | 0.80 | PTPN1 (0.34) | ALDH1A1PTPN1PTPN2 |
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-2004000838-A1 | PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-12-31 | — | — | WO | disclosed |