Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18455052 | 0.88 | CYP2C9 (0.54) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL7412588 | 0.87 | CYP2C9 (0.56) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL28968096 | 0.87 | ALDH1A1 (0.56) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL28342942 | 0.82 | HPGD (0.52) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL27052578 | 0.82 | CES2 (0.48) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL28266819 | 0.81 | TAS1R3 (0.54) | ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A | |
| SCHEMBL27566467 | 0.80 | KMT2A (0.70) | ALDH1A1CES2KMT2AMEN1MMP1 | |
| SCHEMBL27052234 | 0.80 | CES2 (0.48) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL28637086 | 0.79 | CES2 (0.54) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL11802784 | 0.79 | CES2 (0.67) | HPGDKDM4EALDH1A1CES2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |