Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.38 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL12670826 | 0.80 | HTR2C (0.45) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL2019718 | 0.72 | HTR2C (0.64) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL2019717 | 0.72 | HTR2C (0.64) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4523862 | 0.70 | HTR2C (0.62) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL29940611 | 0.69 | GRIN2B (0.42) | MEN1KMT2ATDP1FUCA1MAOA | |
| SCHEMBL17656855 | 0.66 | CXCR4 (0.59) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL12514578 | 0.66 | SIGMAR1 (0.42) | HTR2CHTR2AMEN1KMT2ATDP1 | |
| SCHEMBL2934330 | 0.65 | CXCR4 (0.69) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL16083006 | 0.65 | CXCR4 (0.69) | HTR2CHTR2ACXCR4MEN1KMT2A | |
| SCHEMBL19113882 | 0.65 | NOS1 (0.38) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2540704-B1 | Benethamine salt forms of atorvastatin | PFIZER PROD INC (US) | 2019-07-03 | — | — | EP | disclosed |