Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 2/20 | 0.60 |
| ▸ | MMP13 | P45452 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL15896281 | 0.84 | MMP12 (0.60) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL27540333 | 0.80 | PKM (0.62) | MMP12MMP13MAPK1PKMHTT | |
| SCHEMBL27560998 | 0.79 | MMP12 (0.58) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL2332575 | 0.78 | SMN1; SMN2 (0.59) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL2818655 | 0.78 | SMN1; SMN2 (0.63) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL29886865 | 0.78 | SMN1; SMN2 (0.59) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL4238589 | 0.78 | SMN1; SMN2 (0.59) | MMP12MMP13PKMHTTLMNA | |
| SCHEMBL27576468 | 0.78 | SMN1; SMN2 (0.59) | MMP12MMP13HTTLMNAMAPT | |
| SCHEMBL6350414 | 0.78 | MMP12 (0.78) | MMP12MMP13 | |
| SCHEMBL6331127 | 0.78 | MMP12 (0.57) | MMP12MMP13MAPK1HTTLMNA |
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-3427728-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS INC (US) | 2021-07-07 | — | — | EP | disclosed |