Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4054016 | 1.00 | ALDH1A1 (0.56) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL21170007 | 0.95 | ALDH1A1 (0.58) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL4049966 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL4053086 | 0.89 | ALDH1A1 (0.57) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL4058956 | 0.89 | ALDH1A1 (0.57) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL847304 | 0.85 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2MAPTHPGD | |
| SCHEMBL2120077 | 0.84 | ESR1 (0.57) | ALDH1A1LMNATHRBTDP1MEN1 | |
| SCHEMBL9026740 | 0.84 | ESR1 (0.57) | ALDH1A1LMNATHRBTDP1MEN1 | |
| SCHEMBL6067892 | 0.84 | ESR1 (0.57) | ALDH1A1LMNATHRBTDP1MEN1 | |
| SCHEMBL20594193 | 0.84 | ESR1 (0.57) | ALDH1A1LMNATHRBTDP1MEN1 |
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-2009109999-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |