Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 4/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450371 | 0.81 | XIAP (0.39) | ALDH1A1ALOX15ABCB1MEN1KMT2A | |
| SCHEMBL7640967 | 0.79 | ATM (0.47) | ALDH1A1ALOX15POLBTHRBCYP2C9 | |
| SCHEMBL7409774 | 0.72 | CTSL (0.54) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL30297616 | 0.72 | ALDH1A1 (0.51) | ALDH1A1ABCB1KMT2A | |
| SCHEMBL7450374 | 0.71 | CTSL (0.50) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL7409777 | 0.71 | SLC15A1 (0.41) | ALDH1A1ALOX15ABCB1CTSLCTSB | |
| SCHEMBL7637777 | 0.70 | ELANE (0.42) | — | |
| SCHEMBL27899925 | 0.67 | ABCB1 (0.44) | ALDH1A1ABCB1CTSLCTSBCTSS | |
| SCHEMBL7994098 | 0.66 | ALDH1A1 (0.50) | ALDH1A1ALOX15ABCB1CTSLCTSB | |
| SCHEMBL11341463 | 0.65 | CTSK (0.47) | CTSLCTSBCTSSCTSKCAPN1 |
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 |