Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | PPOX | P50336 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL998214 | 1.00 | TSHR (0.53) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL11281435 | 0.89 | TSHR (0.51) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL1275645 | 0.87 | MAPK1 (0.48) | TSHRMAPK1TDP1MEN1KMT2A | |
| SCHEMBL31191383 | 0.87 | MAPK1 (0.48) | TSHRMAPK1TDP1MEN1KMT2A | |
| SCHEMBL11412090 | 0.82 | TDP1 (0.54) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL969906 | 0.81 | ATM (0.55) | TDP1MEN1KMT2ATXNRD1ALDH1A1 | |
| SCHEMBL30532293 | 0.81 | ATM (0.55) | TDP1MEN1KMT2ATXNRD1ALDH1A1 | |
| SCHEMBL9192519 | 0.80 | MAPK1 (0.62) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL8074925 | 0.80 | TSHR (0.50) | TSHRMAPK1TDP1MEN1KMT2A | |
| SCHEMBL14322739 | 0.80 | MAPT (0.58) | TSHRMAPK1TDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110214141-B | Benzodiazolium compounds as ENaC inhibitors | 企业治疗学有限公司 | 2022-05-31 | — | — | CN | disclosed |