Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL14260659 | 0.81 | — | — | |
| SCHEMBL14175435 | 0.78 | CYP1A2 (0.33) | ALDH1A1PKMKDM4EGAAHPGD | |
| SCHEMBL1226464 | 0.75 | LMNA (0.38) | ALDH1A1PKMPOLBHPGDSMN1; SMN2 | |
| SCHEMBL19533158 | 0.75 | LMNA (0.38) | ALDH1A1PKMPOLBHPGDSMN1; SMN2 | |
| SCHEMBL20804318 | 0.75 | NOS2 (0.32) | POLBLMNAMAPK1HTT | |
| SCHEMBL43433 | 0.74 | — | — | |
| SCHEMBL32667642 | 0.74 | ALDH1A1 (0.37) | ALDH1A1POLBKDM4EGAAHPGD | |
| SCHEMBL2222242 | 0.74 | ALDH1A1 (0.37) | ALDH1A1POLBKDM4EGAAHPGD | |
| SCHEMBL2150283 | 0.74 | ALDH1A1 (0.37) | ALDH1A1POLBKDM4EGAAHPGD | |
| SCHEMBL23221189 | 0.73 | CYP1A2 (0.40) | ALDH1A1PKMMAPK1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3154997-B9 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2021-04-14 | — | — | EP | disclosed |
| EP-3154997-B1 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2020-02-19 | — | — | EP | disclosed |