Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL20569862 | 0.98 | HRH3 (0.37) | HRH3CHRM5CHRM3SMN1; SMN2SIGMAR1 | |
| SCHEMBL15471 | 0.98 | HRH3 (0.37) | HRH3CHRM5CHRM3SMN1; SMN2SIGMAR1 | |
| Methyl Alcohol SCHEMBL27940927 | 0.95 | HRH3 (0.36) | HRH3CHRM5CHRM3SMN1; SMN2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL64916 | 0.95 | SMN1; SMN2 (0.38) | HRH3CHRM5CHRM3SMN1; SMN2SIGMAR1 | |
| Pyridine SCHEMBL28163287 | 0.82 | SLC6A4 (0.42) | HRH3MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL4260116 | 0.80 | CHRM5 (0.35) | CHRM5CHRM3SMN1; SMN2SIGMAR1MEN1 | |
| SCHEMBL12337822 | 0.80 | TSHR (0.39) | HRH3MEN1KMT2A | |
| SCHEMBL11140109 | 0.80 | TSHR (0.39) | HRH3MEN1KMT2A | |
| SCHEMBL11535589 | 0.80 | — | — | |
| SCHEMBL30611837 | 0.79 | KDM4E (0.36) | HRH3CHRM5CHRM3SMN1; SMN2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0440606-A1 | MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF | BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) | 1991-08-14 | — | — | EP | disclosed |
| WO-1989005802-A1 | MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1989-06-29 | — | — | WO | disclosed |