Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090172 | 1.00 | CES1 (0.44) | CES1MAPTTSHRPOLBCYP3A4 | |
| SCHEMBL9775660 | 0.79 | CES1 (0.46) | CES1MAPTTSHRPOLBCYP3A4 | |
| SCHEMBL9775662 | 0.79 | CES1 (0.46) | CES1MAPTTSHRPOLBCYP3A4 | |
| SCHEMBL118008 | 0.74 | HDAC3 (0.54) | CES1MAPTPOLBHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL4002564 | 0.72 | HDAC3 (0.52) | CES1MAPTPOLBHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL5168768 | 0.72 | HDAC3 (0.52) | CES1MAPTPOLBHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL1268649 | 0.72 | HDAC3 (0.52) | CES1MAPTPOLBHSD17B10NPC1 | |
| SCHEMBL114583 | 0.72 | CES1 (0.58) | CES1MAPTTSHRPOLBCYP3A4 | |
| SCHEMBL523842 | 0.72 | CES1 (0.58) | CES1MAPTTSHRPOLBCYP3A4 | |
| SCHEMBL183462 | 0.72 | CES1 (0.58) | CES1MAPTTSHRPOLBCYP3A4 |
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-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | disclosed |