Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11406965 | 0.98 | CES1 (0.46) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL9538229 | 0.82 | CES1 (0.52) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL730326 | 0.81 | POLB (0.48) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL25667317 | 0.80 | KMT2A (0.70) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5642956 | 0.78 | KMT2A (0.67) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5365745 | 0.78 | ALDH1A1 (0.53) | CES1MAPTKDM4EMEN1KMT2A | |
| Benzene SCHEMBL8209405 | 0.77 | KMT2A (0.73) | CES1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL15116 | 0.77 | KMT2A (0.73) | CES1MAPTKDM4EMEN1KMT2A | |
| Hydrogen Peroxide SCHEMBL28455182 | 0.77 | KMT2A (0.73) | CES1MAPTKDM4EMEN1KMT2A | |
| Benzil SCHEMBL10862036 | 0.77 | CES2 (0.67) | CES1MAPTKDM4EMEN1KMT2A |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |
| EP-0166697-B1 | AROYL SUBSTITUTED DIHYDRO-1,4-THIAZINES | CIBA-GEIGY AG (CH) | 1990-05-09 | — | — | EP | disclosed |
| US-4622322-A | ANTIRHEUMATIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1986-11-11 | — | — | US | disclosed |
| EP-0166697-A2 | Aroyl substituted dihydro-1,4-thiazines | CIBA-GEIGY AG (CH) | 1986-01-02 | — | — | EP | disclosed |