Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | HTT | P42858 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899214 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL16738022 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL16738024 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL16738021 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL8164091 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL16166374 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL30095400 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HTTTP53MAPTL3MBTL1 | |
| SCHEMBL8957884 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HTTTP53MAPTTDP1 | |
| SCHEMBL9848580 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HTTTP53MAPTTDP1 | |
| SCHEMBL25338029 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HTTTP53MAPTL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |