Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2861455 | 0.75 | KCNA5 (0.46) | KCNA5CYP1A2CYP3A4CYP2D6KCNN4 | |
| SCHEMBL9259548 | 0.71 | KCNA5 (0.50) | CYP19A1KCNA5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27879611 | 0.69 | CYP19A1 (0.47) | CYP19A1KCNA5MAPT | |
| SCHEMBL1033669 | 0.69 | OXTR (0.42) | SIRT6ALDH1A1NPC1RAB9A | |
| SCHEMBL4469601 | 0.69 | KCNA5 (0.42) | CYP19A1KCNA5ALDH1A1 | |
| SCHEMBL4457212 | 0.69 | KCNA5 (0.42) | CYP19A1KCNA5ALDH1A1 | |
| SCHEMBL27972619 | 0.66 | KCNA5 (0.41) | CYP19A1KCNA5NOTUMCYP1A2CYP3A4 | |
| SCHEMBL8504493 | 0.66 | KCNA5 (0.43) | KCNA5NOTUMCYP1A2CYP3A4KCNN4 | |
| SCHEMBL28847835 | 0.65 | KCNA5 (0.46) | KCNA5CYP1A2CYP3A4CYP2D6KCNN4 | |
| SCHEMBL4457667 | 0.65 | KMT2A (0.39) | CYP19A1KCNA5ALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |