Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | TPO | P07202 | 1/20 | 0.39 |
| ▸ | EPX | P11678 | 1/20 | 0.39 |
| ▸ | LPO | P22079 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3719152 | 0.80 | AR (0.48) | SLC22A12AR | |
| SCHEMBL2788214 | 0.79 | AR (0.55) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL756234 | 0.78 | AR (0.62) | SLC22A12SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL3721298 | 0.77 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL16507366 | 0.74 | ALDH1A1 (0.53) | SLC22A12SLC6A4SLC6A2SLC6A3HPGDS | |
| SCHEMBL16175273 | 0.74 | SLC22A12 (0.49) | SLC22A12SLC6A4SLC6A3HTR2AKCNH2 | |
| SCHEMBL2185557 | 0.74 | NAAA (0.42) | HPGDSSRCPOLBGAA | |
| SCHEMBL3725814 | 0.73 | SLC6A4 (0.44) | SLC22A12SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL3721624 | 0.73 | MPO (0.44) | SLC22A12SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL15832086 | 0.73 | POLB (0.47) | SLC22A12ABL1BCRSRCPOLB |
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-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |