Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7743489 | 0.98 | ADRB1 (0.45) | ADRB1MIFHTR2AADRA1AHTR2B | |
| SCHEMBL10094321 | 0.86 | HSD17B1 (0.47) | HTR2BHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL11133836 | 0.81 | AKR1C3 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9AKR1C3 | |
| SCHEMBL26307961 | 0.79 | CA12 (0.46) | CYP3A4ADRA2AADRA2C | |
| SCHEMBL1254511 | 0.79 | CA12 (0.46) | CYP3A4ADRA2AADRA2C | |
| SCHEMBL28472426 | 0.79 | AKR1C3 (0.58) | CYP2C9AKR1C3AKR1C2ADRA2BBAZ2B | |
| SCHEMBL11479928 | 0.79 | HSD17B1 (0.40) | HSD17B1HSD17B2CYP3A4CYP2C9AKR1C3 | |
| SCHEMBL4745768 | 0.77 | AKR1C3 (0.41) | AKR1C3AKR1C2ADRA2AADRA2BADRA2C | |
| SCHEMBL4779452 | 0.77 | HSD17B1 (0.64) | HSD17B1HSD17B2CYP3A4CYP2C9PLK4 | |
| Boric Acid SCHEMBL28704756 | 0.77 | CA12 (0.41) | CYP3A4ADRA2AADRA2C |
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-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |