Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | ACACA | Q13085 | 2/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17583161 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MAPTGAAPOLBNPSR1 | |
| SCHEMBL29061261 | 0.81 | MAPT (0.32) | MAPTACACBACACACHRNA7CYP3A4 | |
| SCHEMBL21501197 | 0.81 | LMNA (0.52) | ALDH1A1LMNAMAPTTDP1HPGD | |
| SCHEMBL17420547 | 0.79 | ACACB (0.39) | ALDH1A1MAPTACACBACACAGAA | |
| SCHEMBL14330651 | 0.77 | HPGD (0.40) | ALDH1A1LMNAMAPTHPGDPTGER4 | |
| SCHEMBL17420502 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDGAAPOLB | |
| SCHEMBL17583206 | 0.76 | POLB (0.37) | LMNAMAPTHPGDGAAPOLB | |
| SCHEMBL17583176 | 0.75 | POLB (0.46) | ALDH1A1MAPTHRH2HRH1GAA | |
| SCHEMBL29061268 | 0.75 | CYP3A4 (0.36) | ALDH1A1MAPTCHRNA7POLBCYP1A2 | |
| SCHEMBL3891001 | 0.75 | KDM4E (0.48) | ALDH1A1MAPTHPGDGAAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | claimed |
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-116675672-A | New preparation method of antifungal medicine | 北京康立生医药技术开发有限公司 | 2023-09-01 | — | — | CN | disclosed |