Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762168 | 1.00 | P2RX7 (0.39) | P2RX7TSHRNOTUMALDH1A1L3MBTL1 | |
| SCHEMBL29278102 | 0.85 | TSHR (0.34) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL9003991 | 0.85 | GABRA1 (0.40) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL30762200 | 0.85 | TSHR (0.34) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL24681944 | 0.81 | CYP1A2 (0.40) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL16950500 | 0.81 | NOTUM (0.38) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL31038398 | 0.81 | CYP1A2 (0.40) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL30754463 | 0.81 | CYP1A2 (0.40) | TSHRNOTUMALDH1A1L3MBTL1LRRK2 | |
| SCHEMBL507010 | 0.80 | TSHR (0.46) | P2RX7TSHRALDH1A1L3MBTL1AR | |
| SCHEMBL29974545 | 0.80 | TSHR (0.46) | P2RX7TSHRALDH1A1L3MBTL1AR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-103781775-A | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS INC | 2014-05-07 | — | — | CN | disclosed |
| CN-103380133-A | Compounds and their use as BACE inhibitors | ASTRAZENECA AB | 2013-10-30 | — | — | CN | disclosed |
| CN-102459206-A | Oxadiazole derivatives | MERCK SERONO SA | 2012-05-16 | — | — | CN | disclosed |