Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3842527 | 0.97 | MAPT (0.74) | MAPTCYP2A6MAOAMAOBLTA4H | |
| SCHEMBL391385 | 0.97 | MAPT (0.74) | MAPTCYP2A6MAOAMAOBLTA4H | |
| SCHEMBL3843978 | 0.97 | MAPT (0.74) | MAPTCYP2A6MAOAMAOBLTA4H | |
| Phosphine SCHEMBL23732402 | 0.93 | MAPT (0.70) | MAPTCYP2A6MAOAMAOBLTA4H | |
| Hydrogen Sulfide SCHEMBL8755564 | 0.90 | MAPT (0.67) | MAPTCYP2A6MAOAMAOBLTA4H | |
| SCHEMBL6268474 | 0.88 | MAPT (0.64) | MAPTCYP2A6MAOAMAOBLTA4H | |
| SCHEMBL20565541 | 0.85 | MAPT (0.61) | MAPTCYP2A6MAOAMAOBLTA4H | |
| SCHEMBL314422 | 0.85 | LTA4H (0.67) | MAPTMAOALTA4HCA2CA9 | |
| SCHEMBL18105336 | 0.85 | LTA4H (0.67) | MAPTMAOALTA4HCA2CA9 | |
| SCHEMBL1136688 | 0.83 | LTA4H (0.63) | MAPTMAOALTA4HCA2CA9 |
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-114031639-A | Preparation method of biphosphonate with P-O-C-P structure | 烟台大学 | 2022-02-11 | — | — | CN | claimed |