Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28323168 | 0.89 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1ABCB1ENPP1MEN1 | |
| SCHEMBL21548842 | 0.74 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1ENPP1MEN1KMT2A | |
| SCHEMBL21526006 | 0.72 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1ENPP1MEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL28322159 | 0.70 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1ENPP1MEN1KMT2A | |
| SCHEMBL21548831 | 0.67 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1ENPP1HTT | |
| SCHEMBL857595 | 0.67 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1ENPP1MEN1KMT2A | |
| SCHEMBL11471288 | 0.64 | ABCB1 (0.51) | SMN1; SMN2ABCB1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL28323182 | 0.63 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1ENPP1MEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL27734195 | 0.62 | TDP1 (0.52) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL20356567 | 0.61 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1ABCB1ENPP1MEN1 |
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-110198930-A | Pyrimidine derivatives | 第一三共株式会社 | 2019-09-03 | — | — | CN | disclosed |