Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23060734 | 0.88 | KDM4E (0.44) | ALDH1A1KMT2AKDM4ENPC1MAPT | |
| SCHEMBL16973549 | 0.82 | ITGB3 (0.44) | ITGB3ITGA2B | |
| SCHEMBL29374541 | 0.79 | SMN1; SMN2 (0.40) | ALDH1A1KDM4ERAB9ASMN1; SMN2POLB | |
| SCHEMBL29376705 | 0.78 | KDM4E (0.56) | ALDH1A1KDM4ELMNANPC1MAPT | |
| SCHEMBL16973719 | 0.75 | HTT (0.41) | KMT2AITGB3ITGA2B | |
| SCHEMBL17266002 | 0.74 | ACHE (0.40) | KMT2AKDM4E | |
| SCHEMBL16929831 | 0.74 | TSHR (0.40) | LMNAMAPTTSHR | |
| SCHEMBL21824326 | 0.71 | NPC1 (0.47) | ALDH1A1KMT2AKDM4ENPC1MAPT | |
| SCHEMBL21473723 | 0.70 | BCHE (0.34) | — | |
| SCHEMBL22693539 | 0.70 | AOC3 (0.53) | KMT2AEZH2 |
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-3732177-B1 | DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2021-11-17 | — | — | EP | disclosed |