Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | TSHR | P16473 | 4/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CNR2 | P34972 | 6/20 | 0.60 |
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | RORC | P51449 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.53 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8289733 | 1.00 | ALDH1A1 (0.71) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL3988276 | 0.85 | ALDH1A1 (0.97) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL6205045 | 0.84 | ESR2 (0.68) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL8289546 | 0.81 | ESR2 (1.00) | ALDH1A1TSHRHPGDESR2MEN1 | |
| SCHEMBL6203556 | 0.81 | ALDH1A1 (0.73) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL6263808 | 0.80 | CNR2 (0.73) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL6204167 | 0.79 | LMNA (0.70) | ALDH1A1TSHRHPGDGAAESR2 | |
| SCHEMBL8290335 | 0.79 | KMT2A (0.59) | ALDH1A1TSHRESR2MEN1KMT2A | |
| SCHEMBL8288583 | 0.79 | ESR2 (1.00) | ALDH1A1TSHRHPGDESR2MEN1 | |
| SCHEMBL6200055 | 0.77 | ALDH1A1 (0.82) | ALDH1A1TSHRHPGDGAAMEN1 |
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-2005033102-A2 | THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF | AMPHORA DISCOVERY CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |