Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9613513 | 0.87 | — | — | |
| SCHEMBL7684538 | 0.84 | CYP1A2 (0.50) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL12184210 | 0.80 | MAPT (0.45) | CYP1A2SMN1; SMN2KMT2AMEN1MAPT | |
| SCHEMBL14407779 | 0.79 | CYP1A2 (0.77) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL37407 | 0.79 | — | — | |
| SCHEMBL860793 | 0.79 | CYP1A2 (0.77) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL10155509 | 0.78 | CA12 (0.61) | CYP1A2TDP1KMT2AMEN1CA12 | |
| SCHEMBL715894 | 0.77 | — | — | |
| SCHEMBL19052251 | 0.77 | — | — | |
| SCHEMBL14847351 | 0.76 | CA12 (0.39) | CA12CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109575045-A | Thienopyrimidines, preparation method, Pharmaceutical composition and its application | 南京红云生物科技有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-109575045-A | Thienopyrimidines, preparation method, Pharmaceutical composition and its application | 南京红云生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |