Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | TET3 | O43151 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM5C | P41229 | 1/20 | 0.37 |
| ▸ | ASPH | Q12797 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5138970 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| SCHEMBL28731022 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| SCHEMBL2116517 | 0.72 | TSHR (0.40) | ALDH1A1KDM4EHSD17B10TSHRKDM1A | |
| SCHEMBL28026936 | 0.72 | ACHE (0.44) | ALDH1A1KDM4EMAPTCA12CA2 | |
| SCHEMBL5239085 | 0.68 | PARP1 (0.50) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| SCHEMBL383984 | 0.67 | ALDH1A1 (0.57) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| SCHEMBL30831371 | 0.67 | ALDH1A1 (0.57) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL31085561 | 0.66 | ALDH1A1 (0.55) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9256350 | 0.66 | ALDH1A1 (0.55) | ALDH1A1TDP2SRD5A2KDM4EHPGD | |
| SCHEMBL1026101 | 0.66 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPT |
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-2009102537-A1 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2009-08-20 | — | — | WO | claimed |