Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | MAOA | P21397 | 1/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.72 |
| ▸ | HTR2C | P28335 | 1/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.72 |
| ▸ | HTR2B | P41595 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 6/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 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 | 0.84 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL29364009 | 0.84 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL29829339 | 0.84 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL75140 | 0.84 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL4981643 | 0.83 | CYP1A2 (0.71) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL6903872 | 0.83 | CYP1A2 (0.97) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| Bromide SCHEMBL5461853 | 0.82 | CYP1A2 (0.69) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL11655760 | 0.81 | CYP1A2 (0.73) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL3363253 | 0.81 | KDM4E (0.82) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL13500223 | 0.80 | RAB9A (0.85) | CYP1A2ADRA2AMAOASLC6A2HTR2C |
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-2013028543-A1 | BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO | EMORY UNIVERSITY (US) | 2013-02-28 | — | — | WO | disclosed |