Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14985883 | 0.82 | GPR3 (0.55) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL15083814 | 0.81 | ALDH1A1 (0.58) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL16432784 | 0.81 | GPR3 (0.53) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL637147 | 0.81 | GPR3 (0.53) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL17194216 | 0.81 | GPR3 (0.53) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL29693664 | 0.81 | GPR3 (0.53) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL17904025 | 0.79 | ALDH1A1 (0.56) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL28005447 | 0.78 | ALDH1A1 (0.50) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL19267960 | 0.78 | ALDH1A1 (0.50) | GPR3ALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL8277836 | 0.77 | ALDH1A1 (0.53) | GPR3ALDH1A1CYP1A2HPGDNUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3296288-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2018-03-21 | — | — | EP | disclosed |
| CN-103254192-B | Xanthine derivative, its salt, intermediate, preparation method and application | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-103254193-B | Xanthine compound intermediate and preparation method thereof | SHANGHAI INST PHARM INDUSTRY | 2015-04-22 | — | — | CN | disclosed |
| CN-103254193-A | Xanthine compound intermediate and preparation method thereof | SHANGHAI INST PHARM INDUSTRY | 2013-08-21 | — | — | CN | disclosed |
| CN-103254192-A | Xanthine compound, its salt, intermediates, preparation method and application | SHANGHAI INST PHARM INDUSTRY | 2013-08-21 | — | — | CN | disclosed |