Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 4/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL11248019 | 0.86 | CYP1A2 (0.44) | ALDH1A1CYP2C9CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL11251356 | 0.84 | CYP1A2 (0.42) | ALDH1A1CYP2C9CYP2C19L3MBTL1CYP1A2 | |
| SCHEMBL11245176 | 0.83 | P2RX7 (0.44) | ALDH1A1CYP2C9CYP2C19CYP1A2FAAH | |
| SCHEMBL6123566 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL1997120 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL11245609 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL11242309 | 0.73 | SLC2A2 (0.51) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL4158179 | 0.72 | MEN1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL4161662 | 0.72 | MEN1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP3A4TSHR | |
| SCHEMBL11731366 | 0.70 | HPGD (0.54) | ALDH1A1CYP2C9CYP2C19TSHRHSD17B10 |
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-4325962-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS | BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4146721-A | ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1979-03-27 | — | — | US | disclosed |