Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9939344 | 0.95 | PTGS2 (0.46) | ALDH1A1CYP3A4MMP12SMN1; SMN2CYP1A2 | |
| SCHEMBL27679472 | 0.95 | ALDH1A1 (0.54) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL4198693 | 0.86 | PTGS2 (0.53) | ALDH1A1CYP3A4MMP12SMN1; SMN2CYP1A2 | |
| SCHEMBL5306707 | 0.86 | CYP2D6 (0.52) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL486678 | 0.86 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2D6TSHRHSD17B10 | |
| SCHEMBL14798131 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6TSHRHSD17B10 | |
| SCHEMBL28881766 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MMP12SMN1; SMN2CYP1A2 | |
| SCHEMBL113808 | 0.79 | CYP2D6 (0.46) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL27601373 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MMP12SMN1; SMN2TSHR | |
| SCHEMBL6372424 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2D6TSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113226377-B | Antibody drug conjugates comprising an eltrinastine derivative | 法马马有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-113226377-A | Antibody drug conjugates comprising an eltrinastine derivative | 法马马有限公司 | 2021-08-06 | — | — | CN | disclosed |