Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876366 | 0.87 | MIF (0.47) | NPC1RAB9ASMN1; SMN2ACHEHTT | |
| SCHEMBL7876125 | 0.81 | ALDH1A1 (0.41) | ALDH1A1LMNAKEAP1NFE2L2MEN1 | |
| SCHEMBL7876161 | 0.78 | NR4A2 (0.48) | ALDH1A1LMNAMAPTNPC1RAB9A | |
| Cyclopropane Carboxylic Acid SCHEMBL7876401 | 0.73 | ALDH1A1 (0.48) | ALDH1A1LMNARAB9ANPSR1MEN1 | |
| SCHEMBL5372 | 0.71 | MIF (0.67) | ALDH1A1MAPTSMN1; SMN2ACHEHTT | |
| Phenylacetic Acid SCHEMBL7872638 | 0.68 | KDM4E (0.52) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7876137 | 0.68 | CYP3A4 (0.39) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Phenylacetic Acid SCHEMBL7876128 | 0.68 | KDM4E (0.43) | EGFRALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL7872596 | 0.65 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL6108870 | 0.65 | PKM (0.67) | ALDH1A1NPC1RAB9AHTTGAA |
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-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |