Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12706753 | 0.81 | DHODH (0.62) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL8241427 | 0.81 | DHODH (0.62) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL14292869 | 0.81 | ALDH1A1 (0.56) | ALDH1A1RAB9ANPC1CYP2C19MAPT | |
| SCHEMBL23147334 | 0.79 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1CYP2C19MAPT | |
| SCHEMBL27856323 | 0.79 | ALDH1A1 (0.69) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL21568085 | 0.78 | ALDH1A1 (0.67) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL6936299 | 0.78 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1CYP2C19MAPT | |
| SCHEMBL2200065 | 0.77 | PTPN1 (0.61) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL5071228 | 0.76 | RXFP1 (0.62) | ALDH1A1RAB9ANPC1CYP2C19MAPT | |
| SCHEMBL30890711 | 0.75 | MAPT (0.58) | ALDH1A1RAB9ANPC1CYP2C19MAPT |
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-2118051-B1 | NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF | CHELSEA THERAPEUTICS INC (US) | 2011-05-04 | — | — | EP | disclosed |