Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30379399 | 1.00 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EPOLBPKM | |
| SCHEMBL30379227 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDPOLBLMNAKMT2A | |
| SCHEMBL26088784 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDPOLBLMNAKMT2A | |
| SCHEMBL30379098 | 0.87 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EPOLBPKM | |
| SCHEMBL26091423 | 0.87 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EPOLBPKM | |
| SCHEMBL30379054 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDKDM4EPOLBPKM | |
| SCHEMBL26088309 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDKDM4EPOLBPKM | |
| SCHEMBL30379642 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBPKMLMNA | |
| SCHEMBL26088955 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBPKMLMNA | |
| SCHEMBL30379884 | 0.81 | BRD4 (0.64) | ALDH1A1KDM4EPOLBPKMLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023068755-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 사피엔스바이오 | 2023-04-27 | — | — | WO | claimed |
| CN-118119612-A | Novel compounds and pharmaceutical compositions comprising the same | 萨皮恩斯生物有限公司 | 2024-05-31 | — | — | CN | disclosed |
| WO-2023068755-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 사피엔스바이오 | 2023-04-27 | — | — | WO | disclosed |