Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29430565 | 0.82 | PTGS2 (0.56) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL339508 | 0.82 | P2RX7 (0.44) | ALDH1A1GAANPSR1HSD17B10TRPA1 | |
| SCHEMBL28294506 | 0.82 | GABRA1 (0.68) | GAANPSR1CA2GABRA1GABRB2 | |
| SCHEMBL5106925 | 0.82 | PTGS2 (0.56) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL5991730 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10CA2 | |
| SCHEMBL29718576 | 0.82 | CTBP2 (0.55) | ALDH1A1GAAKDM4EHPGDKMT2A | |
| SCHEMBL158861 | 0.82 | CTBP2 (0.55) | ALDH1A1GAAKDM4EHPGDKMT2A | |
| Hydrochloric Acid SCHEMBL14167164 | 0.81 | P2RX7 (0.43) | ALDH1A1GAANPSR1HSD17B10TRPA1 | |
| SCHEMBL11029713 | 0.80 | GAA (0.53) | ALDH1A1GAANPSR1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL14167478 | 0.80 | CTBP2 (0.53) | ALDH1A1GAAKDM4EHPGDKMT2A |
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-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |