Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.65 |
| ▸ | MGAM | O43451 | 1/20 | 0.65 |
| ▸ | SI | P14410 | 1/20 | 0.65 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.65 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29678599 | 1.00 | ALDH1A1 (0.65) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL8048082 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL3434993 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL970693 | 0.78 | ALDH1A1 (0.62) | ALDH1A1KDM4ERAB9AHSD11B1HPGD | |
| SCHEMBL8044727 | 0.77 | HSD17B10 (0.47) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL970105 | 0.77 | MGAM (0.43) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL4414927 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL972899 | 0.73 | MGAM (0.60) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL8043597 | 0.72 | MGAM (0.40) | ALDH1A1KDM4ERAB9AGAAMGAM | |
| SCHEMBL22816357 | 0.71 | KDM4E (0.47) | ALDH1A1KDM4ERAB9AGAAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| CN-109535145-B | 1,3,4-oxa (thia) diazolyl imidazole compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |