Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8887405 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KMT2APOLBMGAMGAA | |
| SCHEMBL15653541 | 0.85 | MGAM (0.46) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL29248863 | 0.83 | GAA (0.39) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL6691923 | 0.79 | CA1 (0.47) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL8252634 | 0.79 | CA1 (0.47) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL31645178 | 0.79 | CA1 (0.47) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL286972 | 0.77 | KMT2A (0.41) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL29754032 | 0.77 | KMT2A (0.41) | ALDH1A1KMT2APOLBMGAMGAA | |
| SCHEMBL19227927 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1KMT2APOLBMGAM | |
| SCHEMBL27728326 | 0.77 | KMT2A (0.41) | ALDH1A1TDP1KMT2APOLBMGAM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973889-A2 | CETP INHIBITORS | Merck & Co., Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007081571-A2 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |