Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.52 |
| ▸ | CASP1 | P29466 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 3/20 | 0.52 |
| ▸ | CASP7 | P55210 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046841 | 0.77 | LTA4H (0.47) | KDM4EHSD17B10CASP1HPGDGAA | |
| SCHEMBL7474146 | 0.77 | HPGD (0.59) | KDM4EHSD17B10CASP1ALDH1A1HPGD | |
| SCHEMBL7477152 | 0.75 | KDM4E (0.40) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL7476332 | 0.73 | ENPP1 (0.52) | KDM4EALDH1A1HPGDGAATSHR | |
| SCHEMBL8558765 | 0.73 | ALDH1A1 (0.36) | KDM4EALDH1A1TSHRSMN1; SMN2LMNA | |
| SCHEMBL7482369 | 0.70 | HSD17B10 (0.43) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL7473547 | 0.69 | ALDH1A1 (0.58) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL17254999 | 0.68 | ALDH1A1 (0.59) | KDM4EHSD17B10CASP1ALDH1A1HPGD | |
| SCHEMBL21855769 | 0.67 | HSD17B10 (0.68) | KDM4EHSD17B10CASP1ALDH1A1HPGD | |
| SCHEMBL4088578 | 0.67 | CYP1A2 (0.72) | HSD17B10ALDH1A1TSHRPOLBHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-6114537-A | 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS | APOTEX INC. (CA) | 2000-09-05 | — | — | US | disclosed |