Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 7/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.39 |
| ▸ | CTSV | O60911 | 6/20 | 0.38 |
| ▸ | CTSS | P25774 | 6/20 | 0.38 |
| ▸ | CTSB | P07858 | 5/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168096 | 0.81 | PNMT (0.44) | CTSLKMT2APNMTPPARGPPARA | |
| SCHEMBL29168093 | 0.81 | PNMT (0.44) | CTSLKMT2APNMTPPARGPPARA | |
| SCHEMBL29168078 | 0.80 | PPARG (0.41) | SCN9AMEN1KMT2AANO1CTSK | |
| SCHEMBL29168029 | 0.80 | SCN9A (0.44) | CTSLSCN9AMAPTPNMTANO1 | |
| SCHEMBL28552846 | 0.78 | LDHA (0.43) | SCN9APPARGPPARA | |
| SCHEMBL29168115 | 0.75 | CTSL (0.69) | CTSLSCN9ACTSVCTSSCTSB | |
| SCHEMBL30818080 | 0.75 | CTSL (0.69) | CTSLSCN9ACTSVCTSSCTSB | |
| SCHEMBL30133674 | 0.75 | CTSL (0.69) | CTSLSCN9ACTSVCTSSCTSB | |
| SCHEMBL29168015 | 0.73 | CTSL (0.41) | CTSLSCN9AMAPTPNMTANO1 | |
| SCHEMBL27627079 | 0.72 | HCAR2 (0.52) | MEN1KMT2AMAPTANO1HPGD |
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 |