Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | PGK2 | P07205 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | FABP2 | P12104 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6037830 | 0.69 | PTGS2 (0.47) | PGK1PGK2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL3219008 | 0.67 | PGK1 (0.43) | PGK1PGK2 | |
| SCHEMBL602096 | 0.67 | PTGS2 (0.69) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| SCHEMBL8136361 | 0.66 | PTGS1 (0.59) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| SCHEMBL8136359 | 0.66 | PTGS1 (0.59) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| SCHEMBL2183822 | 0.66 | PTGS1 (0.59) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| Phosphoric Acid SCHEMBL27934163 | 0.65 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| SCHEMBL18205086 | 0.65 | PTGS1 (0.57) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| Phosphoric Acid SCHEMBL17156463 | 0.64 | PTGS2 (0.64) | AKR1C3AKR1C2PTGS1PTGS2MAPT | |
| SCHEMBL29009822 | 0.64 | CES2 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046180-A | NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |