Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL806520 | 0.87 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1CYP17A1CYP2C9 | |
| SCHEMBL10256864 | 0.84 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1CYP17A1CYP2C9 | |
| SCHEMBL22849632 | 0.84 | AGXT (0.53) | CYP2A6CYP1A2TDP1KDM1AMEN1 | |
| SCHEMBL29550893 | 0.84 | AGXT (0.53) | CYP2A6CYP1A2TDP1KDM1AMEN1 | |
| SCHEMBL20207652 | 0.83 | USP2 (0.47) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL14764486 | 0.81 | KDM1A (0.40) | CYP17A1CYP2C9CYP2C19KDM1AADRB2 | |
| SCHEMBL20207606 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1MEN1KMT2A | |
| SCHEMBL25688253 | 0.80 | USP2 (0.50) | CYP2A6CYP1A2KDM1AADRB2ADRB1 | |
| SCHEMBL23640345 | 0.78 | TDP1 (0.44) | TDP1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL13663829 | 0.77 | CYP2A6 (0.54) | CYP2A6CYP1A2TDP1CYP17A1CYP2C9 |
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-2013036869-A2 | COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS | LANTHEUS MEDICAL IMAGING, INC. (US) | 2013-03-14 | — | — | WO | disclosed |