Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27721289 | 0.77 | CES1 (0.50) | KMT2ATSHRSRCPTGS1PTGS2 | |
| SCHEMBL31423404 | 0.76 | MAPT (0.44) | KMT2ATSHRCES1ALDH1A1CYP3A4 | |
| SCHEMBL16453798 | 0.75 | KMT2A (0.53) | KMT2ATSHRPTGS1PTGS2GAA | |
| SCHEMBL7735376 | 0.75 | KMT2A (0.53) | KMT2ATSHRPTGS1PTGS2GAA | |
| SCHEMBL6618828 | 0.74 | KMT2A (0.51) | KMT2ATSHRSRCPTGS1PTGS2 | |
| SCHEMBL1932808 | 0.73 | CES1 (0.46) | KMT2ATSHRSRCCES1ALDH1A1 | |
| SCHEMBL7724578 | 0.73 | TDP1 (0.44) | KMT2ATSHRCES1ALDH1A1CYP3A4 | |
| SCHEMBL2097359 | 0.73 | KMT2A (0.55) | KMT2ATSHRSRCPTGS1PTGS2 | |
| SCHEMBL8845741 | 0.73 | KMT2A (0.55) | KMT2ATSHRSRCPTGS1PTGS2 | |
| SCHEMBL27293692 | 0.73 | KMT2A (0.49) | KMT2ATSHRALDH1A1TDP1L3MBTL1 |
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-110066236-B | 1H-pyrrole derivative, preparation method thereof, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-110066236-A | 1H- azole derivatives, preparation method, pharmaceutical composition and application | 上海迪诺医药科技有限公司 | 2019-07-30 | — | — | CN | disclosed |