Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL18329485 | 0.86 | MEN1 (0.45) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 | |
| SCHEMBL19585479 | 0.84 | KMT2A (0.40) | MEN1KMT2ACES2CES1SMN1; SMN2 | |
| SCHEMBL1018937 | 0.83 | MEN1 (0.42) | MEN1KMT2ACES2CES1SMN1; SMN2 | |
| SCHEMBL19242268 | 0.83 | FABP3 (0.42) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 | |
| SCHEMBL31258574 | 0.81 | CES2 (0.47) | MEN1KMT2ACES2CES1SMN1; SMN2 | |
| SCHEMBL365563 | 0.81 | CES2 (0.47) | MEN1KMT2ACES2CES1SMN1; SMN2 | |
| SCHEMBL22993172 | 0.81 | DPP4 (0.47) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 | |
| SCHEMBL1495242 | 0.81 | CYP3A4 (0.44) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 | |
| SCHEMBL27292205 | 0.81 | KDM4E (0.46) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 | |
| SCHEMBL31159145 | 0.81 | DPP4 (0.47) | MEN1KMT2ASMN1; SMN2MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106748683-A | A kind of method that 3,4 difluoro toluene continuous oxidation prepares 3,4 difluorobenzaldehydes | 常州大学 | 2017-05-31 | — | — | CN | claimed |
| WO-2019040102-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2019-02-28 | — | — | WO | disclosed |
| CN-106748683-A | A kind of method that 3,4 difluoro toluene continuous oxidation prepares 3,4 difluorobenzaldehydes | 常州大学 | 2017-05-31 | — | — | CN | disclosed |