Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18695361 | 0.77 | CYP3A4 (0.34) | CYP3A4TSHRALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL28408506 | 0.77 | TSHR (0.34) | CYP3A4TSHRALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL276579 | 0.75 | BCL2L1 (0.39) | CDK2CYP3A4TSHRALDH1A1CYP1A2 | |
| SCHEMBL2881023 | 0.74 | CYP3A4 (0.35) | CDK2CYP3A4TSHR | |
| SCHEMBL27664477 | 0.74 | BCL2L1 (0.38) | CDK2CYP3A4TSHRALDH1A1HPGD | |
| SCHEMBL28418486 | 0.73 | ALDH1A1 (0.31) | CYP3A4TSHRALDH1A1CYP1A1CYP1A2 | |
| Catechol SCHEMBL28946741 | 0.72 | CYP2D6 (0.38) | CDK2CYP3A4TSHRALDH1A1CYP1A2 | |
| SCHEMBL9880000 | 0.71 | TSHR (0.39) | CYP3A4TSHRALDH1A1CYP1A2HPGD | |
| SCHEMBL31126656 | 0.71 | — | — | |
| Pyrene SCHEMBL21060519 | 0.71 | CYP3A4 (0.45) | CYP3A4TSHRALDH1A1CYP1A1CYP1A2 |
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-108569995-B | Platinum complex and device thereof | 香港大学 | 2022-03-25 | — | — | CN | disclosed |