Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL30532399 | 1.00 | TSHR (0.36) | TSHRCYP3A4CYP2D6CYP2C9NOS2 | |
| SCHEMBL4001212 | 0.94 | NOS2 (0.41) | TSHRCYP3A4CYP2D6NOS2NOS3 | |
| SCHEMBL30856542 | 0.94 | NOS2 (0.41) | TSHRCYP3A4CYP2D6NOS2NOS3 | |
| SCHEMBL2228248 | 0.94 | NOS2 (0.41) | TSHRCYP3A4CYP2D6NOS2NOS3 | |
| SCHEMBL10885146 | 0.88 | NOS2 (0.40) | TSHRCYP3A4CYP2D6CYP2C9NOS2 | |
| SCHEMBL9737609 | 0.86 | NOS2 (0.43) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL995604 | 0.81 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL146828 | 0.81 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL6859669 | 0.81 | NOS2 (0.46) | NOS2NOS3NOS1PRCPDPP4 | |
| SCHEMBL134643 | 0.80 | CYP3A4 (0.46) | TSHRCYP3A4CYP2D6CYP2C9PRCP |
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-112424185-B | Benzene ring-containing compound, preparation method and application thereof | 广州丹康医药生物有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-112424185-A | Compound containing benzene ring, preparation method and application thereof | 广州丹康医药生物有限公司 | 2021-02-26 | — | — | CN | disclosed |