Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28655311 | 0.87 | ALDH1A1 (0.53) | NPC1ALDH1A1APPL3MBTL1KDM4E | |
| SCHEMBL29550139 | 0.81 | ALDH1A1 (0.55) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL2652708 | 0.81 | ALDH1A1 (0.55) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL25274107 | 0.81 | ALDH1A1 (0.50) | NPC1SMN1; SMN2RAB9AALDH1A1APP | |
| Fluoride SCHEMBL28087422 | 0.80 | ALDH1A1 (0.53) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL5158131 | 0.78 | SMN1; SMN2 (0.48) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL29835204 | 0.77 | CTNNB1 (0.56) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL23727696 | 0.77 | CTNNB1 (0.56) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL1291191 | 0.76 | TSHR (0.56) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL28937499 | 0.76 | CES2 (0.64) | NPC1RAB9AALDH1A1L3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699106-B | Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors | 豪夫迈·罗氏有限公司 | 2021-11-30 | — | — | CN | disclosed |