Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | MMP1 | P03956 | 2/20 | 0.53 |
| ▸ | MMP2 | P08253 | 2/20 | 0.53 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | MMP8 | P22894 | 2/20 | 0.53 |
| ▸ | MMP13 | P45452 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 2/20 | 0.42 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11962947 | 1.00 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1767675 | 0.84 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL15880985 | 0.81 | MEP1B (0.63) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL15880572 | 0.81 | CA1 (0.50) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL10153817 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMBRD4POLBKAT6A | |
| SCHEMBL422373 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2PKMBRD4ACLYPOLB | |
| SCHEMBL24429345 | 0.77 | ALDH1A1 (0.50) | SMN1; SMN2PKMBRD4POLBKAT6A | |
| SCHEMBL1767770 | 0.77 | KMT2A (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1767735 | 0.77 | CA1 (0.50) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL15881204 | 0.77 | CA1 (0.50) | CA1CA2MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2586434-B3 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | UNIV JOHNS HOPKINS (US) | 2022-04-06 | — | — | EP | disclosed |