Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2701986 | 0.79 | MAOB (0.44) | MAOBALDH1A1TDP1TSHRCA1 | |
| SCHEMBL9360571 | 0.76 | LTA4H (0.44) | MAOBALDH1A1TDP1TSHRLTA4H | |
| SCHEMBL1066575 | 0.76 | TSHR (0.50) | MAOBALDH1A1TDP1TSHRCA1 | |
| SCHEMBL2761482 | 0.75 | LTA4H (0.44) | MAOBALDH1A1TSHRLTA4HEPHX2 | |
| SCHEMBL2702507 | 0.74 | MAOB (0.48) | MAOBALDH1A1RECQLTDP1TSHR | |
| SCHEMBL2762162 | 0.73 | KCNH2 (0.45) | ALDH1A1TSHRLTA4HEPHX2 | |
| SCHEMBL2761591 | 0.73 | KCNH2 (0.45) | ALDH1A1TSHRLTA4HEPHX2 | |
| SCHEMBL20572728 | 0.72 | MAOB (0.41) | MAOBALDH1A1RECQLTDP1TSHR | |
| SCHEMBL27718593 | 0.71 | TDP1 (0.48) | MAOBALDH1A1TDP1TSHRCA1 | |
| SCHEMBL790516 | 0.70 | ALDH1A1 (0.46) | MAOBALDH1A1RECQLTDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1251676-C | Phenyl xanthine derivative | GLAXO GROUP LTD (GB) | 2006-04-19 | — | — | CN | disclosed |
| CN-1515571-A | Phenyl xanthine derivative | — | 2004-07-28 | — | — | CN | disclosed |
| CN-1149215-C | Phenyl xanthine derivatives | GLAXO GORUP LTD (GB) | 2004-05-12 | — | — | CN | disclosed |
| CN-1323309-A | Phenyl xanthine derivatives | GLAXO GROUP LTD (GB) | 2001-11-21 | — | — | CN | disclosed |