Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | UBE2M | P61081 | 1/20 | 0.43 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL3704668 | 1.00 | PTGES (0.56) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bicarbonate SCHEMBL3693253 | 0.90 | CYP1A2 (0.53) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1177899 | 0.90 | CYP1A2 (0.50) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3706314 | 0.89 | PTGES (0.64) | PTGESMAPTPTGS2KMT2A | |
| SCHEMBL3699525 | 0.88 | CYP1A2 (0.51) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3693252 | 0.88 | CYP1A2 (0.51) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1177898 | 0.86 | CYP1A2 (0.51) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7604036 | 0.86 | CYP1A2 (0.49) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7601092 | 0.86 | CYP1A2 (0.49) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1177900 | 0.85 | CYP1A2 (0.52) | PTGESCYP1A2CYP3A4CYP2D6CYP2C9 |
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-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |