Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100503 | 0.86 | CYP1A2 (0.61) | ALDH1A1MAPTTDP1CYP1A2KDM4E | |
| SCHEMBL4308337 | 0.83 | KDM4E (0.49) | ALDH1A1MAPTTDP1KDM4EHPGD | |
| SCHEMBL7984639 | 0.79 | MAPT (0.44) | ALDH1A1MAPTTDP1KDM4EHPGD | |
| SCHEMBL4308193 | 0.78 | CYP1A2 (0.50) | ALDH1A1MAPTTDP1CYP1A2KDM4E | |
| SCHEMBL10839866 | 0.76 | KDM4E (0.65) | ALDH1A1MAPTTDP1CYP1A2KDM4E | |
| SCHEMBL27863080 | 0.76 | CDC25B (0.61) | ALDH1A1MAPTTDP1KDM4EHPGD | |
| SCHEMBL1203086 | 0.74 | ALDH1A1 (0.59) | ALDH1A1MAPTTDP1KDM4EHPGD | |
| SCHEMBL7845050 | 0.74 | CYP1A2 (0.54) | ALDH1A1MAPTTDP1CYP1A2KDM4E | |
| SCHEMBL3189109 | 0.72 | MAPT (0.72) | ALDH1A1MAPTTDP1KDM4EHPGD | |
| SCHEMBL102827 | 0.72 | MAPT (0.72) | ALDH1A1MAPTTDP1KDM4EHPGD |
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-1973405-A2 | HYDROXYALKYLARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007087130-A2 | HYDROXYALKYLARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |