Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.45 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.45 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9670878 | 0.85 | ALOX5 (0.55) | HSD17B2BACE1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9670331 | 0.82 | ALOX5 (0.51) | HSD17B1GAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9670020 | 0.80 | HPGD (0.45) | HSD17B1HSD17B2ESR1ESR2BACE1 | |
| SCHEMBL9671345 | 0.80 | HSD17B1 (0.49) | HSD17B1HSD17B2ESR1ESR2PTP4A3 | |
| SCHEMBL9670338 | 0.79 | KDM4E (0.47) | HSD17B1HSD17B2GAAMAPTRAB9A | |
| SCHEMBL11888379 | 0.77 | HSD17B1 (0.47) | HSD17B1HSD17B2ESR1ESR2BACE1 | |
| SCHEMBL9755135 | 0.76 | HSD17B1 (0.70) | HSD17B1HSD17B2ESR1ESR2PTP4A3 | |
| SCHEMBL6266658 | 0.75 | GP6 (0.54) | HSD17B1MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL4260936 | 0.74 | IKBKB (0.59) | HSD17B1PTP4A3PTP4A2PTP4A1GAA | |
| SCHEMBL10205948 | 0.74 | ESR1 (0.66) | HSD17B1HSD17B2ESR1ESR2PTP4A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0318066-B1 | ARYL-SUBSTITUTED THIOPHENE 3-OLS, DERIVATIVES AND ANALOGS, AS LIPOXYGENASE INHIBITORS | MERCK & CO. INC. (US) | 1992-07-29 | — | — | EP | disclosed |
| US-4999436-A | Antiinflammatory agents | MERCK & CO., INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0318066-A1 | Aryl-substituted thiophene 3-ols, derivatives and analogs, as lipoxygenase inhibitors | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |