Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9622317 | 0.81 | CYP3A4 (0.65) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL3084512 | 0.81 | CYP3A4 (0.65) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL29153987 | 0.75 | GPR84 (0.53) | CA1CA2CA9HTTNPC1 | |
| SCHEMBL28464795 | 0.74 | PKM (0.62) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL4277318 | 0.74 | CYP3A4 (0.50) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL22585040 | 0.74 | CYP3A4 (0.83) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL9621858 | 0.74 | CYP3A4 (0.50) | CYP3A4TSHRCA1CA2CA12 | |
| Nitrogen SCHEMBL28055470 | 0.74 | CYP3A4 (0.50) | CYP3A4TSHRCA1CA2CA12 | |
| SCHEMBL3246349 | 0.73 | CES2 (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3219196 | 0.73 | SRC (0.60) | CA1CA2CA12CA7CA9 |
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-114805430-B | Preparation method of selenophosphide and thiophosphoride | 烟台大学 | 2024-02-13 | — | — | CN | disclosed |