Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | OXTR | P30559 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL25187010 | 0.88 | ALDH3A1 (0.40) | TSHRALDH3A1POLBPTGS1PTGS2 | |
| SCHEMBL30427210 | 0.82 | MEN1 (0.39) | TSHRALDH3A1MEN1KMT2APABPC1 | |
| SCHEMBL31019967 | 0.74 | ERN1 (0.40) | TSHRALDH3A1MEN1KMT2APABPC1 | |
| SCHEMBL25199320 | 0.74 | ERN1 (0.40) | TSHRALDH3A1MEN1KMT2APABPC1 | |
| SCHEMBL30427455 | 0.72 | MEN1 (0.40) | TSHRMEN1KMT2APABPC1OXTR | |
| SCHEMBL31019957 | 0.72 | KMT2A (0.37) | TSHRMEN1KMT2APABPC1OXTR | |
| SCHEMBL25193465 | 0.70 | MAPK1 (0.38) | PTGS1PTGS2 | |
| SCHEMBL30426876 | 0.70 | MAPK1 (0.38) | PTGS1PTGS2 | |
| SCHEMBL30426697 | 0.70 | MEN1 (0.35) | MEN1KMT2APABPC1PTGS1PTGS2 | |
| SCHEMBL25425206 | 0.69 | OXTR (0.37) | MEN1KMT2APABPC1OXTRALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023090942-A1 | PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT | 하나제약 주식회사 | 2023-05-25 | — | — | WO | disclosed |