Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 2/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ALPI | P09923 | 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 | |
|---|---|---|---|---|
| SCHEMBL29168050 | 0.80 | ANO1 (0.39) | SCN9ALMNAMAPTNPC1HPGD | |
| SCHEMBL29168081 | 0.79 | TACR3 (0.36) | SCN9AGAAALPL | |
| SCHEMBL29168015 | 0.79 | CTSL (0.41) | SCN9AMAPTCYP2C19HPGD | |
| SCHEMBL29168305 | 0.78 | PARP10 (0.31) | — | |
| SCHEMBL29168307 | 0.78 | PARP10 (0.31) | — | |
| SCHEMBL20482479 | 0.74 | KMT2A (0.48) | SCN9ALMNAMEN1KMT2AGAA | |
| SCHEMBL29168094 | 0.73 | SCN9A (0.32) | SCN9A | |
| SCHEMBL30133703 | 0.69 | ALDH1A1 (0.40) | LMNAMEN1KMT2AGAATSHR | |
| SCHEMBL29168266 | 0.69 | ALDH1A1 (0.40) | LMNAMEN1KMT2AGAATSHR | |
| SCHEMBL29168235 | 0.69 | ALDH1A1 (0.40) | LMNAMEN1KMT2AGAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |