Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 5/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24604991 | 0.90 | KIF11 (0.40) | ESR1CYP1A2ERBB2FYNMAOA | |
| SCHEMBL24605309 | 0.88 | ENPP1 (0.37) | ESR1CYP1A2ERBB2FYNMAOA | |
| SCHEMBL24605305 | 0.88 | ESR1 (0.36) | ESR1CYP1A2ERBB2FYNMAOA | |
| SCHEMBL24605062 | 0.88 | GPR84 (0.37) | ESR1KIF11GPR84TRPV1TOP1 | |
| SCHEMBL24605221 | 0.88 | GPR84 (0.37) | ESR1KIF11GPR84TRPV1TOP1 | |
| SCHEMBL24605008 | 0.87 | TDP1 (0.39) | ESR1CYP1A2ERBB2FYNMAOA | |
| SCHEMBL24605308 | 0.85 | MAOB (0.42) | ESR1CYP1A2MEN1KMT2AACP1 | |
| SCHEMBL24605373 | 0.84 | ESR1 (0.35) | ESR1CYP1A2KIF11TRPV1TOP1 | |
| SCHEMBL24605030 | 0.84 | KIF11 (0.41) | ESR1CYP1A2KIF11TOP1MAPT | |
| SCHEMBL24605295 | 0.82 | CYP3A4 (0.41) | ESR1CYP1A2KIF11TOP1MAPT |
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-20220216414-A1 | MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME | OTI LUMIONICS INC. (CA) | 2022-07-07 | — | — | US | disclosed |