Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18331706 | 0.91 | NOD1 (0.41) | NOD2NOD1TSHRKDM4EMAPT | |
| SCHEMBL18332144 | 0.85 | NOD2 (0.56) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL18331797 | 0.83 | ALOX5 (0.35) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL10003944 | 0.80 | NOD2 (0.44) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL10004054 | 0.78 | NOD1 (0.51) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL18331705 | 0.77 | NOD1 (0.47) | NOD2NOD1TSHRKMT2ACYP2C9 | |
| SCHEMBL18331337 | 0.76 | ALOX5 (0.38) | NOD2NOD1ALDH1A1TSHRKDM4E | |
| SCHEMBL18332188 | 0.76 | NOD1 (0.41) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL10003474 | 0.76 | NOD1 (0.46) | NOD2NOD1ALDH1A1TSHRGAA | |
| SCHEMBL18332408 | 0.76 | NOD1 (0.42) | NOD2NOD1ALDH1A1TSHRGAA |
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 |