Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 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 | |
|---|---|---|---|---|
| SCHEMBL6908528 | 0.85 | MMP8 (0.64) | MMP8CES2CES1TSHRCYP3A4 | |
| SCHEMBL7092555 | 0.84 | MMP8 (0.59) | MMP8CES2CES1TSHRCYP1A2 | |
| SCHEMBL1043699 | 0.82 | NPSR1 (0.49) | MMP8CES2CES1EPHX2PPARG | |
| SCHEMBL13228087 | 0.82 | CES2 (0.47) | CES2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7094136 | 0.82 | MMP8 (0.56) | MMP8CES2CES1TSHRSMN1; SMN2 | |
| SCHEMBL6809652 | 0.81 | MMP8 (0.48) | MMP8CES2CES1EPHX2PPARG | |
| SCHEMBL8200333 | 0.79 | MMP8 (0.55) | MMP8CES2CES1TSHRSMN1; SMN2 | |
| SCHEMBL4748728 | 0.79 | NPSR1 (0.46) | MMP8CES2CES1EPHX2PPARG | |
| SCHEMBL3798068 | 0.78 | CA12 (0.53) | MMP8MEN1NPC1KMT2ACA12 | |
| SCHEMBL6737288 | 0.78 | PDPK1 (0.47) | MMP8PDPK1EPHX2PPARGTSHR |
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 |