Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19066475 | 1.00 | TSHR (0.36) | TSHRALDH1A1SMN1; SMN2MAPTSPHK1 | |
| SCHEMBL28783004 | 0.85 | TSHR (0.37) | TSHRALDH1A1SMN1; SMN2MAPTFAAH | |
| SCHEMBL11659142 | 0.83 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| SCHEMBL21608634 | 0.79 | TSHR (0.36) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| SCHEMBL9620315 | 0.78 | TSHR (0.46) | TSHRALDH1A1FAAHDNM1 | |
| SCHEMBL28364856 | 0.77 | CA2 (0.41) | TSHRALDH1A1SMN1; SMN2MAPTFAAH | |
| SCHEMBL5605811 | 0.77 | TSHR (0.39) | TSHRALDH1A1SPHK1FAAHDNM1 | |
| SCHEMBL2594342 | 0.77 | — | — | |
| SCHEMBL18759600 | 0.76 | MAPT (0.35) | TSHRALDH1A1SMN1; SMN2MAPTSPHK1 | |
| SCHEMBL1220136 | 0.76 | ALDH1A1 (0.30) | TSHRALDH1A1 |
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-2017116956-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2017-07-06 | — | — | WO | disclosed |