Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PTPRB | P23467 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30133665 | 1.00 | CTSL (0.54) | CTSLALDH1A1PTPRBKDM4ENPSR1 | |
| SCHEMBL29168017 | 1.00 | CTSL (0.54) | CTSLALDH1A1PTPRBKDM4ENPSR1 | |
| SCHEMBL20204212 | 0.87 | ALDH1A1 (0.53) | CTSLALDH1A1PTPRBNPSR1HPGD | |
| SCHEMBL19598383 | 0.81 | CTSL (0.59) | CTSLALDH1A1KDM4ENPSR1HPGD | |
| SCHEMBL30133676 | 0.81 | SSTR3 (0.41) | ALDH1A1NPSR1HPGDHTTLMNA | |
| SCHEMBL29168052 | 0.81 | SSTR3 (0.41) | ALDH1A1NPSR1HPGDHTTLMNA | |
| SCHEMBL30133666 | 0.79 | CTSL (0.50) | CTSLALDH1A1PTPRBKDM4ENPSR1 | |
| SCHEMBL21799327 | 0.78 | CTSL (0.64) | CTSLALDH1A1KDM4ENPSR1HPGD | |
| SCHEMBL29168235 | 0.78 | ALDH1A1 (0.40) | ALDH1A1PTPRBNPSR1HPGDHTT | |
| SCHEMBL29168266 | 0.78 | ALDH1A1 (0.40) | ALDH1A1PTPRBNPSR1HPGDHTT |
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 |