Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL150591 | 0.97 | — | — | |
| SCHEMBL3537892 | 0.97 | — | — | |
| SCHEMBL19672798 | 0.87 | — | — | |
| SCHEMBL22444413 | 0.80 | — | — | |
| Piperazine SCHEMBL27519110 | 0.78 | CXCR4 (0.52) | CXCR4SMN1; SMN2POLBHSD17B10MEN1 | |
| SCHEMBL7683711 | 0.78 | CXCR4 (0.52) | CXCR4SMN1; SMN2POLBHSD17B10MEN1 | |
| SCHEMBL13014195 | 0.78 | CXCR4 (0.52) | CXCR4SMN1; SMN2POLBHSD17B10MEN1 | |
| SCHEMBL24671501 | 0.78 | GBA1 (0.41) | SMN1; SMN2ADRA2CSIGMAR1CHRM5CHRM3 | |
| Pivalate SCHEMBL27958702 | 0.78 | SIGMAR1 (0.45) | SMN1; SMN2MEN1CHRM2CHRM1KMT2A | |
| SCHEMBL12958864 | 0.76 | CXCR4 (0.50) | CXCR4SMN1; SMN2POLBHSD17B10MEN1 |
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-109963839-A | Chiral cycleanine compound and application thereof | 香港理工大学 | 2019-07-02 | — | — | CN | disclosed |
| EP-0700392-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027977-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-12-08 | — | — | WO | disclosed |