Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | PPOX | P50336 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21053552 | 1.00 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL23455095 | 0.92 | HCRTR2 (0.36) | ALDH1A1GAA | |
| SCHEMBL21052694 | 0.92 | HCRTR2 (0.36) | ALDH1A1GAA | |
| SCHEMBL28431241 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHR | |
| SCHEMBL21052749 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHR | |
| SCHEMBL28435874 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHR | |
| SCHEMBL29891871 | 0.88 | USP30 (0.37) | ALDH1A1SMN1; SMN2POLBKMT2AMEN1 | |
| SCHEMBL29891600 | 0.88 | USP30 (0.37) | ALDH1A1SMN1; SMN2POLBKMT2AMEN1 | |
| SCHEMBL21053205 | 0.86 | NLRP3 (0.40) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL28434356 | 0.86 | NLRP3 (0.40) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 |
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 |