Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.49 |
| ▸ | CTSL | P07711 | 3/20 | 0.49 |
| ▸ | CTSB | P07858 | 3/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL14716956 | 1.00 | CTSK (0.49) | CTSKCTSLCTSBSCN9ANPC1 | |
| SCHEMBL15311168 | 1.00 | CTSK (0.49) | CTSKCTSLCTSBSCN9ANPC1 | |
| SCHEMBL27812309 | 0.87 | CTSK (0.48) | CTSKCTSLCTSBSCN9ANPC1 | |
| SCHEMBL27503389 | 0.86 | RAB9A (0.47) | CTSKCTSLCTSBSCN9ARAB9A | |
| SCHEMBL29060746 | 0.86 | CTSK (0.47) | CTSKCTSLCTSBSCN9ANPC1 | |
| SCHEMBL29096483 | 0.86 | TRPA1 (0.43) | CTSKCTSLCTSBSCN9ATRPA1 | |
| SCHEMBL28579006 | 0.86 | NPC1 (0.48) | CTSKSCN9ANPC1RAB9AMAPT | |
| SCHEMBL27765430 | 0.86 | NPC1 (0.48) | CTSKSCN9ANPC1RAB9AMAPT | |
| SCHEMBL27584343 | 0.85 | CTSB (0.46) | CTSKCTSLCTSBSCN9ANPC1 | |
| SCHEMBL28520879 | 0.85 | CTSK (0.52) | CTSKCTSLCTSBSCN9ANPC1 |
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-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-101675036-B | Dual-effect benzimidazole antihypertensive agents | THERAVANCE INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101675036-A | Dual-effect benzimidazole antihypertensive agents | THERAVANCE INC | 2010-03-17 | — | — | CN | disclosed |