Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28020562 | 0.92 | CYP1A2 (0.46) | GAACYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL27907145 | 0.88 | PTGDR2 (0.47) | GAACYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL28020949 | 0.86 | NPC1 (0.52) | GAACLK4MEN1KMT2ATSHR | |
| SCHEMBL27907174 | 0.85 | LMNA (0.51) | GAACYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL27925087 | 0.76 | NPC1 (0.54) | GAACLK4MEN1KMT2AALDH1A1 | |
| SCHEMBL4452157 | 0.74 | KMT2A (0.42) | GAAMEN1KMT2ALMNAPTGDR2 | |
| SCHEMBL27925165 | 0.71 | CETP (0.50) | GAACLK4MEN1KMT2AALDH1A1 | |
| SCHEMBL27907149 | 0.69 | PTGDR2 (0.52) | GAACYP3A4CYP2C19CYP2D6MEN1 | |
| SCHEMBL27907147 | 0.67 | RAB9A (0.54) | GAAMEN1KMT2ALMNAMAPK1 | |
| SCHEMBL1303890 | 0.67 | ADORA1 (0.57) | CYP2C19MEN1USP2KMT2ALMNA |
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-103159695-B | HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use | CAPITAL NORMAL UNIVERSITY (CN) | 2015-08-12 | — | — | CN | claimed |
| CN-103159695-B | HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use | CAPITAL NORMAL UNIVERSITY (CN) | 2015-08-12 | — | — | CN | disclosed |