Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL337648 | 0.82 | MAPK1 (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL22264599 | 0.82 | MAPK1 (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL18889 | 0.82 | MAPK1 (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL22264597 | 0.82 | MAPK1 (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL2568053 | 0.82 | MAPK1 (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL11852689 | 0.79 | MAPK1 (0.52) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL309340 | 0.79 | LMNA (0.55) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL6537004 | 0.79 | MAPK1 (0.52) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL5921915 | 0.79 | MAPK1 (0.52) | TAAR1MAPK1KMT2AKCNN4MAPT | |
| Tert-Butylbenzene SCHEMBL975494 | 0.79 | MAPK1 (0.52) | TAAR1MAPK1KMT2AKCNN4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023208171-A1 | PLPRO PROTEIN INHIBITOR, AND PREPARATION METHOD AND APPLICATION THEREOF | 清华大学 | 2023-11-02 | — | — | WO | disclosed |
| CN-116969941-A | PLpro protein inhibitor and preparation method and application thereof | 清华大学 | 2023-10-31 | — | — | CN | disclosed |