Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.40 |
| ▸ | RNF4 | P78317 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL11725723 | 0.84 | CA1 (0.43) | TSHRBCL2A1RNF4RORCTP53 | |
| SCHEMBL1429908 | 0.71 | RNF4 (0.45) | TSHRBCL2A1RNF4ALDH1A1KEAP1 | |
| SCHEMBL28467162 | 0.69 | ESR1 (0.46) | TSHRRORCNPC1ESR2ALDH1A1 | |
| SCHEMBL15984777 | 0.68 | SMN1; SMN2 (0.62) | TSHRBCL2A1RNF4MAPTSMN1; SMN2 | |
| SCHEMBL5702218 | 0.68 | RNF4 (0.51) | TSHRBCL2A1RNF4SMN1; SMN2ALDH1A1 | |
| SCHEMBL28963771 | 0.68 | TSHR (0.41) | TSHRBCL2A1TP53MAPTSMN1; SMN2 | |
| SCHEMBL5622935 | 0.68 | KEAP1 (0.61) | RORCMAPTALDH1A1KEAP1NFE2L2 | |
| SCHEMBL8030070 | 0.67 | MMP8 (0.41) | TSHRBCL2A1RNF4TRPM8 | |
| SCHEMBL24193445 | 0.67 | CA1 (0.43) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11875667 | 0.67 | SMN1; SMN2 (0.47) | TSHRBCL2A1RNF4TP53MAPT |
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-3184527-A1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | Hydra Biosciences, Inc. (US) | 2017-06-28 | — | — | EP | disclosed |