Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL4271221 | 1.00 | CYP3A4 (0.61) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL4203948 | 0.87 | MAPT (0.47) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL13637553 | 0.87 | LMNA (0.52) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL30628345 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL15048810 | 0.86 | TSHR (0.51) | CYP3A4TSHRKDM4ELMNAL3MBTL1 | |
| SCHEMBL3165420 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL12051096 | 0.85 | ABCB1 (0.46) | CYP3A4TSHRKDM4ELMNAMAPT | |
| Hydrochloric Acid SCHEMBL30779134 | 0.83 | MKNK1 (0.52) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL1546433 | 0.83 | TSHR (0.54) | CYP3A4TSHRKDM4ELMNAMAPT | |
| SCHEMBL25794823 | 0.83 | TDP1 (0.62) | CYP3A4TSHRKDM4ELMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111170991-B | Antiproliferative compounds and methods of synthesis thereof | 细胞基因公司 | 2023-10-31 | — | — | CN | disclosed |