Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | HPGD | P15428 | 5/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | CASP1 | P29466 | 1/20 | 0.65 |
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | GRM6 | O15303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6277440 | 0.87 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL6264952 | 0.85 | CNR1 (0.53) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL6266289 | 0.85 | HPGD (0.58) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL3916398 | 0.80 | HPGD (0.56) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL937378 | 0.79 | HPGD (1.00) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL6264957 | 0.77 | CNR1 (0.53) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL6266292 | 0.77 | HPGD (0.58) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL940030 | 0.75 | ALDH1A1 (0.59) | ALDH1A1HPGDALOX15HSD17B10KDM4E | |
| SCHEMBL6262169 | 0.72 | RAB9A (0.58) | ALDH1A1HPGDHSD17B10KDM4ENPC1 | |
| SCHEMBL6282020 | 0.72 | RAB9A (0.58) | ALDH1A1HPGDHSD17B10KDM4ECNR1 |
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-2005081954-A2 | INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B | WYETH (US) | 2005-09-09 | — | — | WO | disclosed |