Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 3/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 3/20 | 0.44 |
| ▸ | KCNQ1 | P51787 | 3/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538507 | 0.83 | CYP19A1 (0.55) | KCNQ3KCNQ2KCNE1KCNQ1CYP19A1 | |
| SCHEMBL11538609 | 0.82 | SLC6A2 (0.50) | KCNQ3KCNQ2CYP19A1POLBNAPRT | |
| SCHEMBL10628639 | 0.81 | KCNQ3 (0.45) | KCNQ3KCNQ2KCNE1KCNQ1BACE1 | |
| SCHEMBL11539092 | 0.80 | SMN1; SMN2 (0.42) | CYP19A1PIK3CDNAPRTCYP3A4CYP2D6 | |
| SCHEMBL11541310 | 0.77 | CYP19A1 (0.58) | CYP19A1CNR1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL8137597 | 0.77 | KCNQ3 (0.42) | KCNQ3KCNQ2KCNE1KCNQ1BACE1 | |
| SCHEMBL30163345 | 0.75 | — | — | |
| SCHEMBL320838 | 0.75 | — | — | |
| SCHEMBL2489611 | 0.75 | IDO1 (0.50) | CYP19A1POLBIDO1TDO2 | |
| SCHEMBL11542699 | 0.74 | CNR1 (0.35) | CYP19A1POLBCNR1CNR2 |
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-4138488-A | Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents | SCHERING CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |