Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4148614 | 0.90 | ALDH1A1 (0.55) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL14376197 | 0.79 | TP53 (0.50) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL28322738 | 0.78 | ALDH1A1 (0.62) | GAANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL328097 | 0.77 | DAO (0.52) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL20826361 | 0.73 | DAO (0.47) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL11203075 | 0.72 | DAO (0.59) | GAADAOALDH1A1NPC1RAB9A | |
| SCHEMBL12121236 | 0.72 | ALDH1A1 (0.51) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL1588053 | 0.71 | ALDH1A1 (0.51) | GAANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL14174956 | 0.71 | DAO (0.48) | GAANPSR1DAOALDH1A1NPC1 | |
| SCHEMBL14228434 | 0.71 | DAO (0.57) | DAOALDH1A1NPC1RAB9ATAS1R3 |
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-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | Cardioxyl Pharmaceuticals, Inc. (US) | 2019-01-16 | — | — | EP | disclosed |