Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6704157 | 0.89 | NR4A2 (0.35) | CCNCCDK8TSHRCYP2D6CYP2C19 | |
| SCHEMBL6818691 | 0.89 | CCNC (0.40) | CCNCCDK8TSHRCYP3A4CYP2D6 | |
| SCHEMBL6818697 | 0.83 | MAPK1 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9KMT2A | |
| SCHEMBL6822414 | 0.75 | PTGDR2 (0.36) | LOXL2TSHR | |
| SCHEMBL6819967 | 0.68 | MMP13 (0.39) | — | |
| SCHEMBL6292192 | 0.67 | NR4A2 (0.39) | TSHRKDM4ECYP2C9MEN1KMT2A | |
| SCHEMBL6822412 | 0.65 | LMNA (0.37) | CCNCCDK8TSHR | |
| Isonicotinic Acid SCHEMBL9986818 | 0.63 | NAPRT (0.63) | LOXL2TSHRKDM4ECYP3A4CYP2D6 | |
| Carbamic Acid SCHEMBL31175940 | 0.61 | LOXL2 (0.73) | LOXL2TSHRKDM4ECYP3A4CYP2D6 | |
| Acetic Acid SCHEMBL28099257 | 0.60 | LOXL2 (0.70) | LOXL2TSHRKDM4ECYP3A4CYP2D6 |
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-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |