Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | ENPEP | Q07075 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31483557 | 0.86 | BLM (0.65) | KMT2ABLMMEN1CYP2C19TSHR | |
| SCHEMBL27980107 | 0.79 | TSHR (0.52) | KMT2ABLMMEN1CYP2C19TSHR | |
| SCHEMBL11322858 | 0.79 | KMT2A (0.43) | KMT2ABLMMEN1CYP2C19TSHR | |
| SCHEMBL29099376 | 0.76 | KMT2A (0.38) | KMT2ABLMMEN1CYP2C19TSHR | |
| SCHEMBL28542603 | 0.76 | KMT2A (0.45) | KMT2ABLMMEN1CYP2C19TSHR | |
| Vigabatrin SCHEMBL31159534 | 0.74 | — | — | |
| Vigabatrin SCHEMBL465981 | 0.74 | — | — | |
| Vigabatrin SCHEMBL26714 | 0.74 | — | — | |
| Vigabatrin SCHEMBL9132153 | 0.74 | — | — | |
| Vigabatrin SCHEMBL5785801 | 0.74 | CYP2D6 (1.00) | KMT2ABLMMEN1CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3928796-A1 | SMALL MOLECULE DRUG CONJUGATES | Eidgenöessische Technische Hochschule Zurich (CH) | 2021-12-29 | — | — | EP | disclosed |