Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.47 |
| ▸ | PNMT | P11086 | 3/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 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 SCHEMBL5856380 | 0.98 | DPP4 (0.46) | DPP4PNMTATRIDO1IDO2 | |
| SCHEMBL29505758 | 0.86 | TAAR1 (0.41) | DPP4IDO1IDO2 | |
| SCHEMBL5405687 | 0.81 | PDCD1 (0.38) | ATRIDO1IDO2CD274 | |
| SCHEMBL11620477 | 0.81 | TRPA1 (0.39) | ATRIDO1IDO2 | |
| SCHEMBL6421776 | 0.78 | ALOX5AP (0.41) | IDO1IDO2 | |
| SCHEMBL24352873 | 0.77 | LTA4H (0.45) | CD274KDM4E | |
| SCHEMBL31070194 | 0.75 | L3MBTL1 (0.45) | IDO1IDO2GAAADORA3 | |
| SCHEMBL5584091 | 0.75 | LIPG (0.42) | IDO1IDO2 | |
| SCHEMBL1857660 | 0.75 | IDO1 (0.53) | IDO1KDM4ENPC1GAAHSD17B10 | |
| SCHEMBL7891498 | 0.74 | PTGER4 (0.50) | IDO1IDO2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000046206-A1 | SUBSTITUTED PYRAZOLE BENZYL AMINE DERIVATIVES TO COMBAT ANAEMIAS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-10 | — | — | WO | claimed |
| CN-109384816-A | Electroluminescent organic material and device | 环球展览公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-104447557-B | A kind of preparation method of N arylpyrazoles compound and N aryl imidazoles | 苏州大学 | 2017-08-25 | — | — | CN | disclosed |
| WO-2000046206-A1 | SUBSTITUTED PYRAZOLE BENZYL AMINE DERIVATIVES TO COMBAT ANAEMIAS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-10 | — | — | WO | disclosed |