Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL515808 | 1.00 | TRPA1 (0.44) | TRPA1POLBNOS3NOS1NOS2 | |
| SCHEMBL10176168 | 0.83 | ALDH1A1 (0.45) | TRPA1NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL27457493 | 0.82 | NOS3 (0.55) | TRPA1POLBNOS3NOS1NOS2 | |
| SCHEMBL27008239 | 0.82 | NOS3 (0.50) | TRPA1POLBNOS3NOS1NOS2 | |
| SCHEMBL13356491 | 0.82 | NOS3 (0.41) | TRPA1NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL19690478 | 0.78 | TRPA1 (0.51) | TRPA1POLBNOS3NOS1NOS2 | |
| SCHEMBL11989043 | 0.78 | HRH1 (0.38) | TRPA1NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL1574796 | 0.77 | NOS3 (0.37) | TRPA1NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL2866347 | 0.76 | MAOA (0.45) | TRPA1POLBNOS3NOS1NOS2 | |
| SCHEMBL8359447 | 0.76 | PDE3B (0.41) | POLBALDH1A1MAOAMAOBMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675704-A | Pyrrole derivative and preparation method and application thereof | 深圳市祥根生物医药有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-114644634-B | Pyrrole derivative and preparation method and application thereof | 深圳市祥根生物医药有限公司 | 2023-06-20 | — | — | CN | disclosed |
| WO-2022134837-A1 | PYRROLE DERIVATIVE, AND PREPARATION METHOD AND USE THEREFOR | 深圳市祥根生物医药有限公司 | 2022-06-30 | — | — | WO | disclosed |
| CN-114644634-A | Pyrrole derivative and preparation method and application thereof | 深圳市祥根生物医药有限公司 | 2022-06-21 | — | — | CN | disclosed |