Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL36252 | 0.87 | CES2 (0.62) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL27865356 | 0.85 | TSHR (0.58) | ALDH1A1KMT2APOLBL3MBTL1NPC1 | |
| SCHEMBL30488606 | 0.83 | LMNA (0.61) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL196555 | 0.83 | LMNA (0.61) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL5742316 | 0.82 | CES2 (0.56) | CES2CES1ALDH1A1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL30910342 | 0.82 | LMNA (0.59) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL28324413 | 0.82 | LMNA (0.59) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL8600837 | 0.79 | ALDH1A1 (0.58) | CES2CES1ALDH1A1KMT2APOLB | |
| SCHEMBL27278175 | 0.79 | TSHR (0.61) | ALDH1A1KMT2APOLBGAAMAPT | |
| SCHEMBL2153551 | 0.79 | CES2 (0.62) | CES2CES1ALDH1A1KMT2APOLB |
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-1066448-C | Amide derivatives | OTSUKA PHARMA CO LTD (JP) | 2001-05-30 | — | — | CN | disclosed |
| CN-1221419-A | Amide derivatives | OTSUKA PHARMA CO LTD (JP) | 1999-06-30 | — | — | CN | disclosed |