Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28434356 | 1.00 | NLRP3 (0.40) | NLRP3ALDH1A1KDM4EHCRTR2SMN1; SMN2 | |
| SCHEMBL23455095 | 0.90 | HCRTR2 (0.36) | NLRP3ALDH1A1HCRTR2GAA | |
| SCHEMBL21052694 | 0.90 | HCRTR2 (0.36) | NLRP3ALDH1A1HCRTR2GAA | |
| SCHEMBL21052695 | 0.86 | TNF (0.32) | NLRP3ALDH1A1GAA | |
| SCHEMBL28430316 | 0.86 | TNF (0.32) | NLRP3ALDH1A1GAA | |
| SCHEMBL23454922 | 0.86 | MEN1 (0.39) | NLRP3ALDH1A1KDM4EPOLBL3MBTL1 | |
| SCHEMBL23454923 | 0.86 | MEN1 (0.39) | NLRP3ALDH1A1KDM4EPOLBL3MBTL1 | |
| SCHEMBL23454921 | 0.86 | MEN1 (0.39) | NLRP3ALDH1A1KDM4EPOLBL3MBTL1 | |
| SCHEMBL21053552 | 0.86 | ALDH1A1 (0.34) | ALDH1A1KDM4ESMN1; SMN2TSHRPOLB | |
| SCHEMBL21052749 | 0.86 | ALDH1A1 (0.34) | NLRP3ALDH1A1KDM4EHCRTR2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3720856-A1 | DOPAMINE-& X392;-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2020-10-14 | — | — | EP | disclosed |
| WO-2019112457-A1 | DOPAMINE-Β-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-06-13 | — | — | WO | disclosed |