Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10722678 | 0.70 | ACHE (0.82) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL2549277 | 0.69 | SULT1A1 (0.53) | HPGDALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL30406206 | 0.69 | SULT1A1 (0.53) | HPGDALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL14916518 | 0.69 | CA12 (0.46) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL22628934 | 0.68 | ACHE (0.77) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL436168 | 0.66 | ACHE (1.00) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL12790042 | 0.66 | CNR1 (0.72) | ACHEHPGDALDH1A1KMT2ANPC1 | |
| SCHEMBL18475959 | 0.65 | ACHE (0.72) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL10274557 | 0.65 | ACHE (0.72) | ACHEHPGDALDH1A1GRM5KMT2A | |
| SCHEMBL13744553 | 0.65 | ACHE (0.72) | ACHEHPGDALDH1A1GRM5KMT2A |
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-3409276-B1 | IRE-1A INHIBITORS | FOSUN ORINOVE PHARMATECH INC (CN) | 2020-12-30 | — | — | EP | disclosed |