Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL28502157 | 0.87 | GAA (0.52) | GAACD44CYP3A4HTR6CYP2C9 | |
| SCHEMBL1538438 | 0.82 | KMT2A (0.56) | KMT2AGAATSHRCA1CA2 | |
| SCHEMBL7773185 | 0.82 | KMT2A (0.51) | KMT2AGAACD44CYP3A4CYP2C9 | |
| SCHEMBL28506091 | 0.80 | CD44 (0.48) | KMT2AGAACD44CYP3A4TSHR | |
| SCHEMBL8180224 | 0.78 | GAA (0.60) | KMT2AGAACD44CYP3A4TSHR | |
| SCHEMBL28504178 | 0.78 | GAA (0.74) | KMT2AGAACYP3A4HTR6CYP2C9 | |
| SCHEMBL22292321 | 0.78 | GAA (0.55) | KMT2AGAACD44CYP3A4TSHR | |
| SCHEMBL9634830 | 0.76 | KMT2A (0.51) | KMT2AGAACYP3A4CYP2C9KEAP1 | |
| SCHEMBL28511981 | 0.75 | RAPGEF4 (0.44) | KMT2AGAATDP1KDM4EL3MBTL1 | |
| SCHEMBL28511192 | 0.75 | KMT2A (0.51) | KMT2AGAACYP3A4TSHRTDP1 |
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-109096156-B | Disulfonyl meta-aryl diamine urease inhibitor and preparation method and application thereof | 吉首大学 | 2021-01-15 | — | — | CN | disclosed |