Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3791059 | 0.81 | TSHR (0.57) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL14362156 | 0.81 | TSHR (0.57) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL5341762 | 0.79 | TSHR (0.55) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL1493619 | 0.78 | TSHR (0.53) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL9330992 | 0.78 | TSHR (0.53) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL29190248 | 0.76 | TSHR (0.52) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL4579178 | 0.75 | TSHR (0.50) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL11767608 | 0.75 | TSHR (0.50) | TSHRTP53LMNAF2AKT1 | |
| SCHEMBL10698829 | 0.74 | TSHR (0.63) | TSHRTP53LMNAF2PDCD1 | |
| SCHEMBL11847134 | 0.74 | TSHR (0.63) | TSHRTP53LMNAF2PDCD1 |
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-2016013033-A1 | VINYLIC 3-AMINO-1,2 DIOLS COMPOUNDS AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-01-28 | — | — | WO | disclosed |