Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | HTR2C | P28335 | 3/20 | 0.54 |
| ▸ | HTR2B | P41595 | 3/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 4/20 | 0.44 |
| ▸ | PNMT | P11086 | 4/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27901789 | 0.88 | KDM1A (0.47) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27919503 | 0.80 | OPRM1 (0.43) | HTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL27919507 | 0.77 | HTR2C (0.50) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27797441 | 0.77 | HTR2A (0.50) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27743677 | 0.77 | DRD2 (0.44) | KDM1A | |
| SCHEMBL27919637 | 0.77 | TBXA2R (0.37) | HTR2AHTR2CHTR2BCHRNB2CHRNA4 | |
| SCHEMBL1011414 | 0.77 | HTR2A (0.66) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27901793 | 0.75 | PRCP (0.42) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27901797 | 0.74 | HTR2C (0.45) | HTR2AHTR2CHTR2BPARP1PARP10 | |
| SCHEMBL27919511 | 0.74 | HTR2C (0.36) | HTR2AHTR2CHTR2BKDM1A |
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-103108871-B | 17a-hydroxylase/c17,20-lyase inhibitors | NOVARTIS AG | 2014-09-10 | — | — | CN | disclosed |
| CN-103108871-A | 17a-hydroxylase/c17,20-lyase inhibitors | NOVARTIS AG | 2013-05-15 | — | — | CN | disclosed |