Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22208301 | 0.98 | ACHE (0.42) | ACHEBCHEDPP4SIGMAR1SMN1; SMN2 | |
| SCHEMBL27804958 | 0.92 | SIGMAR1 (0.42) | ACHEBCHEDPP4SIGMAR1HRH3 | |
| SCHEMBL28781540 | 0.92 | SIGMAR1 (0.46) | ACHEBCHEDPP4SIGMAR1SMN1; SMN2 | |
| SCHEMBL27907362 | 0.89 | DPP4 (0.39) | ACHEBCHEDPP4SIGMAR1SMN1; SMN2 | |
| SCHEMBL27686033 | 0.85 | SMN1; SMN2 (0.39) | ACHEBCHEDPP4SMN1; SMN2LMNA | |
| Methane SCHEMBL27968861 | 0.82 | EPHX1 (0.41) | DPP4SMN1; SMN2LMNAEPHX1CCNE1 | |
| SCHEMBL23089331 | 0.81 | CHRM3 (0.46) | DPP4SMN1; SMN2CHRM3 | |
| SCHEMBL7815595 | 0.80 | EPHX1 (0.42) | DPP4SMN1; SMN2LMNAEPHX1CCNE1 | |
| SCHEMBL27757088 | 0.80 | BCHE (0.40) | ACHEBCHESIGMAR1HRH3CHRM3 | |
| SCHEMBL27539772 | 0.77 | CHRM3 (0.49) | BCHEDPP4SMN1; SMN2EPHX1CHRM3 |
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-102617580-A | Vasopressin V1a Antagonists | FERRING BV | 2012-08-01 | — | — | CN | disclosed |
| CN-101563347-A | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2009-10-21 | — | — | CN | disclosed |