Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8656436 | 0.89 | PKM (0.50) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL9577376 | 0.88 | CYP2C19 (0.49) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL28501622 | 0.86 | CYP2C19 (0.47) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL28493071 | 0.86 | CYP2C19 (0.47) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL1893011 | 0.85 | AKR1C3 (0.51) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL11276933 | 0.85 | CYP2C19 (0.67) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL7270733 | 0.84 | LMNA (0.50) | CYP2C19PKMALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL8862101 | 0.84 | AKR1C3 (0.48) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL17080074 | 0.84 | CYP2C19 (0.56) | CYP2C19AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL28606284 | 0.84 | SMN1; SMN2 (0.53) | CYP2C19PKML3MBTL1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-07-24 | — | — | US | disclosed |