Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL9107624 | 0.87 | TDP1 (0.59) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9107636 | 0.87 | TDP1 (0.59) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2171939 | 0.82 | TDP1 (0.49) | TDP1CYP1A2CYP3A4CYP2C19POLB | |
| SCHEMBL7624014 | 0.82 | ESR1 (0.45) | TDP1CYP2C19POLBKMT2A | |
| SCHEMBL28535310 | 0.81 | ALDH1A1 (0.55) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13285265 | 0.81 | CNR2 (0.51) | ALDH1A1KMT2ACCR1CCR2 | |
| SCHEMBL28820301 | 0.80 | P2RX7 (0.49) | MEN1KMT2A | |
| SCHEMBL30768311 | 0.79 | SCN9A (0.42) | TDP1CYP1A2CYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL6994953 | 0.78 | P2RX7 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL9892984 | 0.77 | POLB (0.54) | TDP1ALDH1A1CYP1A2CYP3A4L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113185452-A | Urea derivatives or pharmaceutically acceptable salts thereof | 杏林制药株式会社 | 2021-07-30 | — | — | CN | disclosed |
| CN-107849049-B | Urea derivatives or pharmaceutically acceptable salts thereof | 杏林制药株式会社 | 2021-03-16 | — | — | CN | disclosed |