Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29204879 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL2372546 | 0.66 | ALDH1A1 (0.83) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL16609313 | 0.66 | GAA (0.55) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL10543987 | 0.66 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL18471272 | 0.66 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL6554634 | 0.65 | GAA (0.59) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL10375728 | 0.65 | ALDH1A1 (0.80) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL11411849 | 0.65 | GAA (0.64) | ALDH1A1TSHRCYP3A4GAASMN1; SMN2 | |
| SCHEMBL7627224 | 0.64 | ALDH1A1 (0.72) | ALDH1A1CYP3A4GAASMN1; SMN2CA1 | |
| SCHEMBL187561 | 0.64 | GAA (0.70) | ALDH1A1CYP3A4GAASMN1; SMN2CA1 |
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-111909098-A | hexahydro-5H-benzo [ d ] imidazole-5-ketone derivative and preparation method and application thereof | 深圳职业技术学院 | 2020-11-10 | — | — | CN | disclosed |