Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15362895 | 1.00 | AKT1 (0.44) | AKT1CACNA1HSIGMAR1DRD2CYP2D6 | |
| SCHEMBL9612258 | 0.86 | AKT1 (0.43) | AKT1CYP2D6ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL8328204 | 0.84 | CACNA1H (0.54) | CACNA1HSIGMAR1DRD2CYP2D6KCNH2 | |
| SCHEMBL21465949 | 0.83 | SIGMAR1 (0.39) | AKT1CACNA1HSIGMAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7130844 | 0.83 | ALDH1A1 (0.53) | CACNA1HSIGMAR1ALDH1A1TDP1MEN1 | |
| SCHEMBL1064815 | 0.80 | ALDH1A1 (0.44) | DRD2ALDH1A1MEN1KMT2ADRD3 | |
| SCHEMBL15362875 | 0.80 | ALDH1A1 (0.44) | DRD2ALDH1A1MEN1KMT2ADRD3 | |
| SCHEMBL25917727 | 0.79 | SIGMAR1 (0.47) | CACNA1HSIGMAR1ALDH1A1TDP1MEN1 | |
| SCHEMBL15362896 | 0.79 | AKT1 (0.35) | AKT1CACNA1HSIGMAR1ALDH1A1MEN1 | |
| SCHEMBL20425498 | 0.79 | AKT1 (0.47) | AKT1CYP2D6ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2740491-A1 | Conjugates of the B-subunit of shiga toxin for use as contrasting agents for imaging and therapy | Institut Curie (FR) | 2014-06-11 | — | — | EP | disclosed |