Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL672412 | 0.81 | DHODH (0.44) | DHODHULK1DHFRSYKEGFR | |
| SCHEMBL185709 | 0.81 | STK17A (0.38) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15456151 | 0.80 | STK17A (0.37) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2806736 | 0.80 | STK17A (0.37) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL185783 | 0.79 | RAB9A (0.38) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL2806482 | 0.76 | RAB9A (0.44) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL185820 | 0.74 | RAB9A (0.39) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL186155 | 0.73 | CHEK1 (0.47) | — | |
| SCHEMBL28794901 | 0.73 | RAB9A (0.39) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL185410 | 0.73 | RAB9A (0.39) | RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |