Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.97 |
| ▸ | MAOA | P21397 | 2/20 | 0.97 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.97 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.97 |
| ▸ | HTR2C | P28335 | 1/20 | 0.97 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.97 |
| ▸ | HTR2B | P41595 | 1/20 | 0.97 |
| ▸ | RAB9A | P51151 | 8/20 | 0.75 |
| ▸ | NPC1 | O15118 | 5/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| 2-Acetylaminofluorene SCHEMBL21114365 | 0.98 | CYP1A2 (1.00) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL29829339 | 0.98 | CYP1A2 (1.00) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL29364009 | 0.98 | CYP1A2 (1.00) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL75140 | 0.98 | CYP1A2 (1.00) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL5663545 | 0.93 | CYP1A2 (0.89) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| SCHEMBL28178463 | 0.92 | CYP1A2 (0.88) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| SCHEMBL2962505 | 0.90 | MAOA (0.84) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL20771371 | 0.89 | CYP1A2 (0.82) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| SCHEMBL28448285 | 0.86 | NPC1 (1.00) | CYP1A2MAOAADRA2ASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL28265516 | 0.85 | MAOA (0.74) | CYP1A2MAOAADRA2ASLC6A2HTR2C |
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-6676973-B1 | SUCH AS CADMIUM CHLORIDE AS TUMOR TOXIC AGENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2004-01-13 | — | — | US | disclosed |