Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 12/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.74 |
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | PHGDH | O43175 | 2/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL10143934 | 0.85 | ALDH1A1 (0.98) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL8289336 | 0.81 | ALDH1A1 (0.76) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL5449432 | 0.78 | ALDH1A1 (1.00) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL19066920 | 0.76 | PHGDH (1.00) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL5456095 | 0.75 | ALDH1A1 (0.77) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL26307731 | 0.74 | THRB (0.68) | HPGDALDH1A1KDM4EMAPK1HSD17B10 | |
| SCHEMBL26308573 | 0.74 | ALDH1A1 (0.72) | HPGDALDH1A1MAPK1TSHRHSD17B10 | |
| SCHEMBL8289620 | 0.73 | RAB9A (0.67) | HPGDALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL8302568 | 0.73 | ALDH1A1 (0.69) | HPGDALDH1A1MAPK1HSD17B10NPSR1 | |
| SCHEMBL5040215 | 0.72 | ALDH1A1 (0.70) | HPGDALDH1A1MAPK1TSHRHSD17B10 |
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 |