Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | BAX | Q07812 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 2/20 | 0.42 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | RNF4 | P78317 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL158241 | 0.83 | SIRT1 (0.42) | SMN1; SMN2HPGDALDH1A1TSHRKMT2A | |
| SCHEMBL27946068 | 0.82 | LTA4H (0.47) | PARP10SMN1; SMN2HPGDALDH1A1LTA4H | |
| SCHEMBL27798844 | 0.81 | OPRM1 (0.46) | LTA4H | |
| SCHEMBL4558245 | 0.80 | NPC1 (0.41) | SMN1; SMN2ERCC5FEN1TSHR | |
| SCHEMBL9536223 | 0.80 | PARP10 (0.59) | PARP10SMN1; SMN2SRD5A2LTA4HMAOA | |
| SCHEMBL27798703 | 0.80 | KMT2A (0.54) | SMN1; SMN2ALDH1A1SRD5A2SCN4AF13A1 | |
| SCHEMBL27527894 | 0.79 | CA1 (0.50) | PARP10SMN1; SMN2PARP4 | |
| Dimethylamine SCHEMBL27576834 | 0.78 | LMNA (0.40) | SMN1; SMN2HPGDALDH1A1TSHRKMT2A | |
| SCHEMBL28861802 | 0.77 | CTNNB1 (0.51) | PARP10SMN1; SMN2CTNNB1TSHRKMT2A | |
| SCHEMBL5528839 | 0.76 | TRPA1 (0.47) | SMN1; SMN2HPGDALDH1A1KMT2A |
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-101687816-A | Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases | IPSEN PHARMA SAS | 2010-03-31 | — | — | CN | claimed |
| CN-1849301-A | Substituted arylthiourea derivatives useful as inhibitors of viral replication | ACHILLION PHARMACEUTICALS INC (US) | 2006-10-18 | — | — | CN | claimed |
| CN-107629022-A | A kind of Trimethoprim and its preparation method and purposes | 上海医药工业研究院 | 2018-01-26 | — | — | CN | disclosed |
| CN-107235916-A | A kind of licochalcone A deracil analog derivative and its synthetic method for having antitumor activity | 陕西科技大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-101687816-A | Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases | IPSEN PHARMA SAS | 2010-03-31 | — | — | CN | disclosed |