Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | BCL9 | O00512 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11038742 | 0.88 | MAPT (0.54) | ALDH1A1NPC1MAPTKDM4ELMNA | |
| SCHEMBL27915344 | 0.86 | MAPT (0.47) | ALDH1A1NPC1MAPTKDM4ELMNA | |
| SCHEMBL12309829 | 0.85 | MAPT (0.49) | ALDH1A1NPC1POLBSLC6A3MAPT | |
| SCHEMBL10434032 | 0.85 | NPC1 (0.46) | ALDH1A1NPC1MAPTKDM4ELMNA | |
| SCHEMBL10771707 | 0.85 | BCL9 (0.56) | ALDH1A1NPC1MAPTKDM4ELMNA | |
| SCHEMBL5026928 | 0.84 | MAPT (0.45) | ALDH1A1NPC1POLBMAPTKDM4E | |
| SCHEMBL11090216 | 0.84 | ALDH1A1 (0.47) | ALDH1A1NPC1POLBMAPTKDM4E | |
| SCHEMBL7351298 | 0.83 | GAA (0.52) | ALDH1A1MAPTLMNAGAAKMT2A | |
| SCHEMBL7976858 | 0.82 | L3MBTL1 (0.61) | ALDH1A1NPC1POLBSLC6A3MAPT | |
| SCHEMBL4656943 | 0.82 | AKR1C3 (0.51) | ALDH1A1NPC1MAPTLMNAAKR1C3 |
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-4476315-A | NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS | ETHYL CORPORATION (US) | 1984-10-09 | — | — | US | disclosed |