Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28127287 | 0.86 | P4HB (0.39) | P4HBCXCR2CXCR1CA2CA12 | |
| SCHEMBL20129681 | 0.79 | MRGPRX4 (0.44) | CA2PTGDR2ALDH1A1CA1AR | |
| SCHEMBL28120602 | 0.77 | AR (0.54) | P4HBALDH1A1AR | |
| SCHEMBL28862653 | 0.77 | AR (0.50) | P4HBALDH1A1AR | |
| SCHEMBL388024 | 0.76 | AR (0.51) | P4HBCA2ALDH1A1AOX1CA1 | |
| SCHEMBL28107055 | 0.75 | AR (0.46) | CA2PTGDR2ALDH1A1CA1AR | |
| SCHEMBL16418462 | 0.75 | ALDH1A1 (0.41) | CA2CA12CA9CA14ALDH1A1 | |
| SCHEMBL28127063 | 0.75 | PTGDR2 (0.38) | CA2CA12CA9PTGDR2CA1 | |
| Methyl Alcohol SCHEMBL27451617 | 0.74 | AR (0.50) | P4HBALDH1A1AOX1AR | |
| SCHEMBL7512633 | 0.74 | CXCR1 (0.40) | P4HBCXCR2CXCR1CA2CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107383057-B | Imidazoles [4,5-e] thiophene [2,3-b] pyridine derivatives and preparation method thereof with the double fluorescent functionals of solid-liquid | 中山大学 | 2019-04-30 | — | — | CN | disclosed |
| CN-105209449-B | Inhibitors of the kynurenine pathway | 库拉德夫制药私人有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-107383057-A | Imidazoles [4,5 e] thiophene [2,3 b] pyridine derivatives with the double fluorescent functionals of solid-liquid and preparation method thereof | 中山大学 | 2017-11-24 | — | — | CN | disclosed |
| CN-105777781-B | Thiazole [4,5 e] thiophene [2,3 b] pyridine derivatives with fluorescent functional and preparation method thereof | 中山大学 | 2017-11-10 | — | — | CN | disclosed |
| CN-105777781-A | Thiazole[4,5-e]thiophene[2,3-b]pyridine type derivative with fluorescent function and preparation method thereof | 中山大学 | 2016-07-20 | — | — | CN | disclosed |