Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10693344 | 0.93 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL8185048 | 0.78 | KMT2A (0.62) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL11587287 | 0.77 | KMT2A (0.76) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL11939429 | 0.75 | KMT2A (0.58) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL11939336 | 0.75 | KMT2A (0.58) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL8468151 | 0.75 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL8935823 | 0.75 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL5721832 | 0.75 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL12310141 | 0.75 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL31002548 | 0.75 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0123543-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1988-02-03 | — | — | EP | disclosed |
| US-4609744-A | 4-oxo-benzopyran carboxylic acids | MERCK FROSST CANADA INC. (CA) | 1986-09-02 | — | — | US | disclosed |
| EP-0123543-A1 | Leukotriene antagonists, their production and use and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-10-31 | — | — | EP | disclosed |