Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | GUSB | P08236 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | MAT2A | P31153 | 3/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090889 | 0.86 | HSD17B10 (0.66) | ALDH1A1HPGDHSD17B10MDM2KDM4E | |
| SCHEMBL1573422 | 0.85 | KDM4E (0.50) | ALDH1A1HPGDHSD17B10PTGS2PTGS1 | |
| SCHEMBL7091477 | 0.84 | POLB (0.56) | ALDH1A1HPGDHSD17B10PTGS2TNKS | |
| SCHEMBL7092828 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10PTGS2GSK3B | |
| SCHEMBL7093919 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10PTGS2GSK3B | |
| SCHEMBL7093329 | 0.80 | HSD17B10 (0.51) | ALDH1A1HPGDHSD17B10PTGS2PTGS1 | |
| SCHEMBL20828257 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10GSK3BBACE1 | |
| SCHEMBL7092623 | 0.79 | PTGS2 (0.60) | ALDH1A1HPGDHSD17B10PTGS2PTGS1 | |
| SCHEMBL11182848 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10PTGS2GSK3B | |
| SCHEMBL11736095 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDHSD17B10GSK3BMDM2 |
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 |