Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23782592 | 0.85 | HPGD (0.51) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL9449271 | 0.83 | NPC1 (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL4938257 | 0.83 | SLC6A3 (0.54) | ADRA2BTDP1KMT2ALMNACES2 | |
| SCHEMBL23782603 | 0.83 | LMNA (0.44) | PGRTDP1LMNAMAPTNPC1 | |
| SCHEMBL7430529 | 0.81 | GSK3B (0.44) | KCNH2L3MBTL1KMT2ALMNACES2 | |
| SCHEMBL2336670 | 0.80 | PGR (0.52) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL8094352 | 0.80 | PGR (0.52) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL268856 | 0.80 | MDM2 (0.57) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL23782499 | 0.80 | ALDH1A1 (0.47) | TDP1L3MBTL1KMT2ALMNAMAPT | |
| SCHEMBL23782367 | 0.80 | ALDH1A1 (0.50) | TDP1KMT2ACES2CES1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |