Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 5/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27689981 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACA1CA2PLAU | |
| SCHEMBL193825 | 0.79 | ALDH1A1 (0.54) | ALDH1A1LMNACA1CA2MEN1 | |
| SCHEMBL28305711 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNACA1CA2MEN1 | |
| SCHEMBL28870757 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNACA1CA2MEN1 | |
| SCHEMBL5315761 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNACA1CA2MEN1 | |
| SCHEMBL17430186 | 0.76 | CYP2A6 (0.45) | ALDH1A1LMNAESR1CA1CA2 | |
| SCHEMBL15676841 | 0.76 | ALDH1A1 (0.40) | ALDH1A1LMNACA1CA2MEN1 | |
| Hydrochloric Acid SCHEMBL27301426 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNACA1CA2MEN1 | |
| SCHEMBL12175387 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNACA1CA2PLAU | |
| SCHEMBL469386 | 0.75 | ALDH1A1 (0.72) | ALDH1A1LIMK1LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011075607-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-06-23 | — | — | WO | disclosed |