Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD2 | Q9HC29 | 4/20 | 0.56 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18332148 | 0.85 | NOD2 (0.39) | NOD2NOD1TSHRKDM4EMAPT | |
| SCHEMBL18331705 | 0.83 | NOD1 (0.47) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL18332143 | 0.81 | NOD2 (0.65) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL18331797 | 0.80 | ALOX5 (0.35) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL10003423 | 0.78 | NOD2 (0.67) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL18332411 | 0.75 | NOD2 (0.65) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL18331706 | 0.75 | NOD1 (0.41) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL18332154 | 0.74 | NOD2 (0.69) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL10004286 | 0.73 | NOD2 (0.75) | NOD2NOD1TSHRKDM4ELMNA | |
| SCHEMBL6894539 | 0.73 | NOD2 (1.00) | NOD2NOD1TSHRKDM4ELMNA |
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-2016204261-A1 | AMINOPYRAZOLE DERIVATIVES | 中外製薬株式会社 | 2016-12-22 | — | — | WO | disclosed |