Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TYMP | P19971 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093919 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDTYMPSERPINE1 | |
| SCHEMBL7090889 | 0.90 | HSD17B10 (0.66) | ALDH1A1HSD17B10HPGDTYMPSERPINE1 | |
| SCHEMBL7089988 | 0.86 | POLB (0.55) | ALDH1A1HSD17B10HPGDSERPINE1MDM2 | |
| SCHEMBL7091477 | 0.84 | POLB (0.56) | ALDH1A1HSD17B10HPGDTYMPMDM2 | |
| SCHEMBL1573392 | 0.84 | TYMP (0.62) | ALDH1A1HSD17B10HPGDTYMPSERPINE1 | |
| SCHEMBL1573566 | 0.84 | TYMP (0.62) | ALDH1A1HSD17B10HPGDTYMPSERPINE1 | |
| SCHEMBL7093329 | 0.81 | HSD17B10 (0.51) | ALDH1A1HSD17B10HPGDTYMPMDM2 | |
| SCHEMBL7094140 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDTYMPMDM2 | |
| SCHEMBL7093922 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDKDM4EMDM2 | |
| SCHEMBL7092623 | 0.80 | PTGS2 (0.60) | ALDH1A1HSD17B10HPGDPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | claimed |
| WO-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | disclosed |