Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1800169 | 0.77 | ALDH1A1 (0.46) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| SCHEMBL9782316 | 0.76 | NPC1 (0.42) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| SCHEMBL2094001 | 0.76 | NPC1 (0.41) | NPC1ALDH1A1MAPTSMN1; SMN2POLB | |
| SCHEMBL31453775 | 0.73 | CA12 (0.48) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| SCHEMBL20714852 | 0.73 | ICMT (0.45) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| SCHEMBL10779665 | 0.73 | ALDH1A1 (0.54) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| SCHEMBL19119350 | 0.72 | NPC1 (0.43) | NPC1ALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL7746721 | 0.72 | MAPT (0.56) | NPC1ALDH1A1MAPTGAAPOLB | |
| SCHEMBL18300960 | 0.71 | RAPGEF4 (0.40) | NPC1ALDH1A1MAPTSMN1; SMN2AGTR1 | |
| Hydrochloric Acid SCHEMBL11070681 | 0.71 | NPC1 (0.42) | NPC1ALDH1A1MAPTSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0074564-B1 | USE OF 3,4-DISUBSTITUTED ANILINE AS AN ACCELERATOR FOR AN UNSATURATED POLYESTER RESIN | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |