Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL24506765 | 0.91 | ESR1 (0.33) | ESR1 | |
| SCHEMBL17570445 | 0.80 | ESR1 (0.44) | ALDH1A1CYP3A4ESR1 | |
| SCHEMBL21300807 | 0.80 | PAOX (0.42) | ALDH1A1 | |
| SCHEMBL22811093 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL23221267 | 0.79 | ALDH1A1 (0.34) | ALDH1A1KMT2A | |
| SCHEMBL21728717 | 0.77 | PPARA (0.33) | ALDH1A1 | |
| SCHEMBL21728718 | 0.77 | TSHR (0.42) | HIF1A | |
| SCHEMBL21728714 | 0.77 | TSHR (0.42) | ALDH1A1CYP3A4LMNASMN1; SMN2ESR1 | |
| SCHEMBL21728695 | 0.76 | — | — | |
| SCHEMBL21728681 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3154997-B9 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2021-04-14 | — | — | EP | disclosed |
| EP-3753578-A1 | CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF | Novartis AG (CH) | 2020-12-23 | — | — | EP | disclosed |
| EP-3154997-B1 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2020-02-19 | — | — | EP | disclosed |