Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | ANPEP | P15144 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18901957 | 0.92 | NR1H2 (0.38) | NR1H2ALDH1A1KMT2AMMP2ANPEP | |
| SCHEMBL9601548 | 0.89 | NR1H2 (0.43) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL30397094 | 0.89 | NR1H2 (0.41) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL15815897 | 0.89 | NR1H2 (0.41) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL2708360 | 0.89 | NR1H2 (0.41) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL17007562 | 0.88 | MMP2 (0.40) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL17007565 | 0.88 | MMP2 (0.40) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL9602147 | 0.88 | NR1H2 (0.39) | NR1H2ALDH1A1MMP2ANPEPNR1H3 | |
| SCHEMBL5511842 | 0.87 | NR1H2 (0.36) | NR1H2ALDH1A1KMT2AMMP2ANPEP | |
| SCHEMBL16230579 | 0.87 | SMN1; SMN2 (0.41) | NR1H2ALDH1A1KMT2ANR1H3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |