Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 6/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8842181 | 0.79 | MAOA (0.46) | PYCR1ESR1ESR2MAOBTAAR1 | |
| SCHEMBL20488218 | 0.79 | SLC6A4 (0.48) | PYCR1ESR1ESR2ACACBTAAR1 | |
| SCHEMBL28634122 | 0.79 | PYCR1 (0.40) | PYCR1ESR1ESR2ACACBTAAR1 | |
| SCHEMBL134502 | 0.78 | MAOB (0.47) | MAOBTAAR1 | |
| SCHEMBL9793910 | 0.78 | MAOB (0.47) | MAOBTAAR1 | |
| SCHEMBL2298190 | 0.75 | HTR2A (0.42) | ACACBMMEHTR2ATAAR1PPARG | |
| SCHEMBL20489213 | 0.75 | LDHA (0.53) | PYCR1ACACBIDO1 | |
| SCHEMBL7100971 | 0.75 | SLC6A4 (0.54) | — | |
| SCHEMBL29493531 | 0.75 | PYCR1 (0.44) | PYCR1ESR1ESR2MAOBTAAR1 | |
| SCHEMBL9349134 | 0.72 | LTA4H (0.52) | ACACBPPARGPPARA |
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-114409501-B | Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source | 云南民族大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-114409501-A | Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source | 云南民族大学 | 2022-04-29 | — | — | CN | disclosed |