Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8687044 | 0.83 | NPSR1 (0.34) | NPSR1ALDH1A1CYP2C9HPGDHSD17B10 | |
| SCHEMBL177754 | 0.78 | NPSR1 (0.47) | NPSR1PAOXAPOBEC3AAPOBEC3GALDH1A1 | |
| SCHEMBL10781612 | 0.75 | — | — | |
| SCHEMBL1964829 | 0.74 | NPSR1 (0.40) | NPSR1PAOXNPC1RAB9AALDH1A1 | |
| SCHEMBL23452013 | 0.74 | PAOX (0.41) | NPSR1PAOXAPOBEC3AAPOBEC3GALDH1A1 | |
| Hydrochloric Acid SCHEMBL6991683 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HRH4CA12CA1 | |
| SCHEMBL29193668 | 0.73 | PAOX (0.38) | NPSR1PAOXAPOBEC3AAPOBEC3GNPC1 | |
| SCHEMBL3038389 | 0.73 | CYP2D6 (0.46) | NPSR1PAOXAPOBEC3AAPOBEC3GALDH1A1 | |
| SCHEMBL23451900 | 0.72 | PAOX (0.39) | NPSR1PAOXAPOBEC3AAPOBEC3GALDH1A1 | |
| SCHEMBL23451695 | 0.72 | PAOX (0.44) | NPSR1PAOXAPOBEC3AAPOBEC3GALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |