Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2937407 | 1.00 | TP53 (0.55) | TP53CYP3A4BCHECHRM2CHRM1 | |
| SCHEMBL2932600 | 0.85 | KMT2A (0.51) | CYP3A4BCHEDHFRSMN1; SMN2TSHR | |
| SCHEMBL29975974 | 0.85 | KMT2A (0.51) | CYP3A4BCHEDHFRSMN1; SMN2TSHR | |
| SCHEMBL13672772 | 0.83 | MAOB (0.46) | BCHESMN1; SMN2TSHRMAPK1MAOB | |
| SCHEMBL31061915 | 0.83 | TP53 (0.59) | TP53CYP3A4CHRM2CHRM1CHRM3 | |
| SCHEMBL131598 | 0.83 | TP53 (0.59) | TP53CYP3A4CHRM2CHRM1CHRM3 | |
| SCHEMBL5247746 | 0.83 | TP53 (0.59) | TP53CYP3A4BCHECHRM2CHRM1 | |
| SCHEMBL13541357 | 0.83 | TSHR (0.51) | DHFRTSHRLTA4HCYP2D6 | |
| Ammonia Solution, Strong SCHEMBL27668328 | 0.82 | TP53 (0.57) | TP53CYP3A4CHRM2CHRM1CHRM3 | |
| SCHEMBL4401546 | 0.81 | BCHE (0.44) | BCHEMAOBKDM4EALDH1A1 |
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-110023292-B | Apoptosis inhibitors | 北京生命科学研究所 | 2022-10-04 | — | — | CN | disclosed |