Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25337583 | 0.88 | ALDH1A1 (0.54) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL718460 | 0.84 | PTGDR2 (0.68) | ALDH1A1HTTSMN1; SMN2PTGDR2PKM | |
| SCHEMBL5519643 | 0.83 | PTGDR2 (0.50) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL11263623 | 0.83 | KDM4E (0.53) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL2945856 | 0.83 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTPTGDR2LMNA | |
| SCHEMBL11280545 | 0.82 | HTT (0.51) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL32678019 | 0.82 | PTGDR2 (0.73) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL32678021 | 0.82 | PTGDR2 (0.73) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL11277902 | 0.82 | PTGDR2 (0.73) | ALDH1A1HTTSMN1; SMN2MAPTPTGDR2 | |
| SCHEMBL11280539 | 0.82 | NPC1 (0.61) | ALDH1A1MAPTPTGDR2LMNAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4320061-A | ANTISPASMODIC AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1982-03-16 | — | — | US | disclosed |
| US-4279905-A | GASTROINTESTINAL DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-07-21 | — | — | US | disclosed |