Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 7/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 7/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 7/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011531 | 0.92 | MEN1 (0.46) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2860749 | 0.87 | TAS1R3 (0.44) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL503607 | 0.86 | TAS1R3 (0.47) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL19130691 | 0.86 | MEN1 (0.41) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL18774734 | 0.85 | CYP1A2 (0.41) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL29449985 | 0.84 | CES2 (0.43) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL336394 | 0.84 | CES2 (0.43) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL203915 | 0.84 | CES2 (0.43) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2470702 | 0.83 | TAS1R3 (0.45) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL6740806 | 0.83 | TAS1R3 (0.45) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106543065-A | 2,4 2 replacement of a kind of 4 trifluoromethyl, 2,5 dihydro pyrrole derivates and its preparation method and application | 华东师范大学 | 2017-03-29 | — | — | CN | disclosed |