Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9112475 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GAAHTTCYP2C19CYP1A2 | |
| SCHEMBL9112479 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GAAHTTCYP2C19CYP1A2 | |
| SCHEMBL15544924 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHTTCYP1A2KMT2A | |
| SCHEMBL15544928 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHTTCYP1A2KMT2A | |
| SCHEMBL1163011 | 0.76 | ALDH1A1 (0.43) | ALDH1A1GAAHTTCYP2C19CYP1A2 | |
| SCHEMBL1100036 | 0.76 | ALDH1A1 (0.62) | ALDH1A1GAAHTTMEN1KMT2A | |
| SCHEMBL16679829 | 0.75 | ALDH1A1 (0.45) | ALDH1A1GAAHTTCYP2C19CYP1A2 | |
| SCHEMBL15545143 | 0.75 | ALDH1A1 (0.42) | ALDH1A1GAAHTTMEN1KMT2A | |
| SCHEMBL17467169 | 0.75 | CYP2C19 (0.42) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL15545142 | 0.75 | ALDH1A1 (0.42) | ALDH1A1GAAHTTMEN1KMT2A |
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-2011019538-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2011-02-17 | — | — | WO | disclosed |