Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | FOS | P01100 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23888936 | 1.00 | GABRA1 (0.45) | GABRA1GABRB2CYP3A4ALDH1A1ALOX15 | |
| SCHEMBL12305064 | 0.81 | LCK (0.58) | CYP3A4ALDH1A1ALOX15ALOX12TP53 | |
| SCHEMBL13282798 | 0.81 | LCK (0.58) | CYP3A4ALDH1A1ALOX15ALOX12TP53 | |
| SCHEMBL8417679 | 0.80 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4ALDH1A1HPGD | |
| Acetic Acid SCHEMBL27838442 | 0.78 | CYP3A4 (0.54) | GABRA1GABRB2CYP3A4ALDH1A1ALOX15 | |
| SCHEMBL13952328 | 0.77 | FOLH1 (0.52) | GABRA1GABRB2CYP3A4ALDH1A1ALOX15 | |
| SCHEMBL15669409 | 0.77 | LCK (0.45) | CYP3A4ALDH1A1ALOX15ALOX12TP53 | |
| SCHEMBL13265736 | 0.76 | ADRB2 (0.46) | HIF1ACYP1A2KMT2ACYP2D6NFKB1 | |
| SCHEMBL5546946 | 0.76 | ESR1 (0.65) | ESR1ESR2SLC7A5MIFESRRB | |
| SCHEMBL15314148 | 0.76 | ESR1 (0.65) | ESR1ESR2SLC7A5MIFESRRB |
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-3177282-B1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2021-10-06 | — | — | EP | disclosed |