Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 6/20 | 0.57 |
| ▸ | PYGL | P06737 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.49 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22803724 | 0.90 | ESR1 (0.63) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL31668714 | 0.88 | ESR1 (0.61) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL25120831 | 0.84 | ESR1 (0.58) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL31668678 | 0.84 | ESR1 (0.57) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL30005991 | 0.83 | MAOA (0.64) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL13135962 | 0.83 | MAOA (0.64) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL27375907 | 0.83 | NPC1 (0.61) | MAOAESR1PYGLNOTUMEPHX1 | |
| SCHEMBL4892478 | 0.81 | ESR1 (0.61) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL22778049 | 0.81 | ESR1 (0.74) | MAOAHDAC1HDAC2ESR1PYGL | |
| SCHEMBL29714386 | 0.81 | ESR1 (0.74) | MAOAHDAC1HDAC2ESR1PYGL |
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-113923988-B | Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-115427044-A | Pyrrolopyrimidines as complement inhibitors | 拜奥克里斯特制药公司 | 2022-12-02 | — | — | CN | disclosed |