Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11271870 | 0.89 | ALDH1A1 (0.43) | ALDH1A1CYP1A2LMNANPSR1SMN1; SMN2 | |
| SCHEMBL11285398 | 0.88 | CYP1A2 (0.40) | ALDH1A1CYP1A2LMNANPSR1CYP2C9 | |
| SCHEMBL11272661 | 0.88 | PPARA (0.56) | ALDH1A1CYP1A2NPSR1CYP2C19SMN1; SMN2 | |
| SCHEMBL11266219 | 0.86 | MAPT (0.47) | CYP1A2LMNACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL11277557 | 0.85 | PPARA (0.53) | ALDH1A1CYP1A2LMNAKMT2AMEN1 | |
| SCHEMBL11271624 | 0.85 | SMN1; SMN2 (0.47) | CYP1A2SMN1; SMN2KMT2AMEN1PPARA | |
| SCHEMBL11276072 | 0.84 | HRH2 (0.40) | ALDH1A1CYP1A2SMN1; SMN2GAAPPARA | |
| SCHEMBL11270059 | 0.84 | PPARA (0.52) | ALDH1A1CYP1A2NPSR1KMT2AMEN1 | |
| SCHEMBL11276223 | 0.83 | MAPT (0.46) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11278396 | 0.82 | OPRK1 (0.58) | ALDH1A1CYP1A2LMNANPSR1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4331674-A | Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |