Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27293207 | 0.84 | ALDH1A1 (0.47) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL19057315 | 0.84 | ALDH1A1 (0.47) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL7275154 | 0.83 | AOC3 (0.48) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL3969308 | 0.83 | EPHX2 (0.49) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL10627501 | 0.82 | ALDH1A1 (0.52) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL23616322 | 0.81 | TP53 (0.47) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL7045980 | 0.80 | ALDH1A1 (0.55) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL24062697 | 0.79 | HDAC3 (0.47) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL23623818 | 0.79 | ALOX5 (0.46) | EPHX2ALDH1A1ALOX5NPC1RAB9A | |
| SCHEMBL27726414 | 0.79 | ALDH1A1 (0.48) | EPHX2ALDH1A1ALOX5NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4087621-A1 | MACROCYCLIC CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2022-11-16 | — | — | EP | disclosed |
| CN-115243729-A | Macrocyclic chelates and their use | 融合制药公司 | 2022-10-25 | — | — | CN | disclosed |
| WO-2008098056-A2 | HIGH RELAXIVITY CHELATES | EPIX PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |