Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | GABRP | O00591 | 3/20 | 0.49 |
| ▸ | GABRD | O14764 | 3/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680173 | 0.84 | GABRP (0.59) | ALDH1A1TSHRMAPTSMN1; SMN2GABRP | |
| SCHEMBL1535240 | 0.81 | LCK (0.60) | ALDH1A1MAPTGABRPGABRDGABRA1 | |
| SCHEMBL22493056 | 0.81 | MAPT (0.50) | ALDH1A1TSHRMAPTSMN1; SMN2GABRP | |
| SCHEMBL5599708 | 0.78 | ESR1 (0.70) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL28410064 | 0.77 | HIF1A (0.43) | ALDH1A1TSHRMAPTSMN1; SMN2GABRP | |
| SCHEMBL27449890 | 0.76 | TSHR (0.60) | ALDH1A1TSHRESR1TDP1MAPT | |
| SCHEMBL546168 | 0.75 | LCK (0.60) | ALDH1A1ESR1MAPTGABRPGABRD | |
| SCHEMBL8068826 | 0.74 | SERPINE1 (0.55) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL13610176 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRESR1TDP1MAPT | |
| SCHEMBL21200187 | 0.74 | MEN1 (0.43) | ALDH1A1ESR1MAPTKDM4ELMNA |
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-3704113-A1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2020-09-09 | — | — | EP | disclosed |