Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15912474 | 0.88 | TDP1 (0.48) | TDP1LMNASMN1; SMN2TP53L3MBTL1 | |
| SCHEMBL24993325 | 0.83 | CA1 (0.53) | CA1CA2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL871874 | 0.82 | HTT (0.49) | CA1CA2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL31214279 | 0.81 | NPSR1 (0.48) | TDP1CA1CA2ALDH1A1KDM4E | |
| SCHEMBL958881 | 0.81 | NPSR1 (0.48) | TDP1CA1CA2ALDH1A1KDM4E | |
| SCHEMBL2488376 | 0.79 | — | — | |
| SCHEMBL24994333 | 0.77 | KDM4E (0.51) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL71518 | 0.74 | NPSR1 (0.59) | TDP1CA1CA2SMN1; SMN2ALDH1A1 | |
| SCHEMBL9085493 | 0.74 | ALDH1A1 (0.46) | TDP1CYP1A2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL8340364 | 0.74 | P2RY1 (0.59) | CYP1A2CYP2C19KDM4EMEN1MAPT |
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-2023010191-A1 | N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS | EUROFARMA LABORATÓRIOS S.A. (BR) | 2023-02-09 | — | — | WO | disclosed |