Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | RAB9A | P51151 | 5/20 | 0.66 |
| ▸ | NPC1 | O15118 | 5/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844204 | 0.90 | ALDH1A1 (0.72) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL31117051 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL31116973 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL3520425 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL13131101 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL18355731 | 0.86 | MAPT (0.59) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL17844090 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL1355820 | 0.85 | ALDH1A1 (0.66) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL31117114 | 0.85 | ALDH1A1 (0.66) | ALDH1A1HPGDRAB9ANPC1TP53 | |
| SCHEMBL17844093 | 0.85 | RAB9A (0.69) | ALDH1A1HPGDRAB9ANPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118619953-A | Dihydropyrazolopyrimidino-pyrido-indol-4-one derivative and application thereof | 新疆工程学院 | 2024-09-10 | — | — | CN | disclosed |
| EP-3286178-A1 | AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS | Almirall S.A. (ES) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016170009-A1 | AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS | ALMIRALL, S.A. (ES) | 2016-10-27 | — | — | WO | disclosed |