Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.66 |
| ▸ | CXCR4 | P61073 | 11/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | CCR2 | P41597 | 1/20 | 0.65 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL211040 | 1.00 | SIGMAR1 (0.66) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL3062972 | 0.98 | CXCR4 (0.66) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL6291076 | 0.98 | CXCR4 (0.66) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL2003768 | 0.93 | CXCR4 (0.77) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL209072 | 0.91 | CXCR4 (0.78) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL2233118 | 0.90 | SIGMAR1 (0.54) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL1259387 | 0.87 | CXCR4 (0.81) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL5573232 | 0.87 | CXCR4 (0.78) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL2233922 | 0.86 | HRH3 (0.64) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Bromide SCHEMBL1257550 | 0.85 | CXCR4 (0.78) | SIGMAR1CXCR4MEN1CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4243805-A | 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1981-01-06 | — | — | US | disclosed |