Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | COMT | P21964 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17267004 | 0.90 | COMT (0.48) | ALDH1A1MEN1KMT2ACOMTDRD4 | |
| SCHEMBL14007395 | 0.86 | COMT (0.48) | ALDH1A1MEN1KMT2ACOMTDRD4 | |
| SCHEMBL182188 | 0.80 | ADH5 (0.55) | ALDH1A1MEN1KMT2AALOX15TSHR | |
| SCHEMBL2847343 | 0.77 | COMT (0.48) | CYP1A2COMTDRD4TSHRHPGD | |
| SCHEMBL182263 | 0.77 | ADH5 (0.55) | COMTTSHRNPC1RAB9A | |
| SCHEMBL17267006 | 0.76 | COMT (0.56) | ALDH1A1MEN1KMT2ACOMTDRD4 | |
| SCHEMBL30728841 | 0.73 | NPC1 (0.57) | ALDH1A1MEN1KMT2ACOMTALOX15 | |
| SCHEMBL182269 | 0.73 | RXRA (0.49) | MEN1KMT2ACOMT | |
| SCHEMBL1660428 | 0.73 | ALOX5 (0.55) | ALDH1A1MEN1KMT2ACOMTALOX15 | |
| SCHEMBL181937 | 0.72 | RXRA (0.55) | ALDH1A1MEN1KMT2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103772259-B | There is positively charged aryl and the heteroaryl acetic acid class prodrug of rapid skin penetration speed | 于崇曦 | 2016-08-31 | — | — | CN | disclosed |