Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764479 | 0.89 | RAB9A (0.46) | CYP1A2CYP2A6RELARAB9AKMT2A | |
| SCHEMBL8668861 | 0.88 | RAB9A (0.51) | CYP1A2CYP2A6RELARAB9AKMT2A | |
| SCHEMBL7220223 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP2A6RELARAB9AHTR2A | |
| SCHEMBL7210308 | 0.83 | CYP2A6 (0.52) | CYP1A2CYP2A6RAB9AKMT2A | |
| SCHEMBL8204171 | 0.80 | RELA (0.53) | CYP1A2CYP2A6RELARAB9AKMT2A | |
| SCHEMBL9423244 | 0.79 | MAOA (0.51) | CYP1A2RAB9AKMT2AMAOAMAOB | |
| SCHEMBL720558 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2A6RAB9AKMT2AHTR2A | |
| SCHEMBL29955760 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2A6RAB9AKMT2AHTR2A | |
| SCHEMBL69726 | 0.75 | MAOB (0.57) | CYP2A6HTR2AMAOAMAOB | |
| SCHEMBL6645031 | 0.75 | CYP2A6 (0.54) | CYP1A2CYP2A6RAB9AKMT2AHTR2A |
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-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |