Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.47 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981946 | 0.92 | HSD17B3 (0.68) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL6981251 | 0.86 | HSD17B3 (0.53) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL14610764 | 0.78 | CCR2 (0.62) | CYP2C9CYP2C19CYP3A4METAP2MEN1 | |
| SCHEMBL6979125 | 0.78 | HSD17B3 (0.64) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL2888624 | 0.78 | HSD17B3 (0.53) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL6980613 | 0.76 | FFAR1 (0.64) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL6977018 | 0.75 | ALDH1A1 (0.60) | HSD17B3HSD17B2POLBALDH1A1LMNA | |
| SCHEMBL6976969 | 0.75 | LMNA (0.57) | HSD17B3HSD17B2POLBMIFALDH1A1 | |
| SCHEMBL7501950 | 0.75 | CA1 (0.81) | HSD17B3HSD17B2CA1CA2POLB | |
| SCHEMBL3366221 | 0.74 | CES1 (0.81) | HSD17B3HSD17B2CA1CA2POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109560-B1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMA (US) | 2003-08-27 | — | — | EP | disclosed |
| US-6525050-B1 | Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive | AGOURON PHARMACEUTICALS, INC. | 2003-02-25 | — | — | US | disclosed |
| EP-1109560-A4 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMA (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-1109560-A1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000013688-A1 | COMPOUNDS USEFUL AS AICARFT INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 2000-03-16 | — | — | WO | disclosed |