Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 9/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747379 | 0.85 | MAOA (0.43) | DRD1DRD5NR1I2MAPK1 | |
| SCHEMBL8747026 | 0.84 | DRD1 (0.40) | DRD1DRD2MAPK1 | |
| Maleic Acid SCHEMBL8747197 | 0.82 | DRD1 (0.48) | DRD1DRD2DRD5DRD4ALOX15 | |
| Fumaric Acid SCHEMBL8747200 | 0.82 | DRD1 (0.48) | DRD1DRD2DRD5DRD4ALOX15 | |
| SCHEMBL8747039 | 0.81 | DRD1 (0.46) | DRD1DRD2DRD5DRD4NR1I2 | |
| SCHEMBL8747030 | 0.81 | DRD1 (0.39) | DRD1DRD2MAPK1 | |
| Bromide SCHEMBL8747293 | 0.80 | DRD1 (0.46) | DRD1DRD2DRD5DRD4NR1I2 | |
| SCHEMBL8747135 | 0.77 | DRD1 (0.45) | DRD1DRD2DRD5DRD4NR1I2 | |
| Bromide SCHEMBL8747292 | 0.77 | DRD1 (0.44) | DRD1DRD2DRD5DRD4NR1I2 | |
| SCHEMBL8747075 | 0.76 | MAOA (0.43) | DRD1DRD2DRD5DRD4NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1045291-C | Therapeutic agents | BOOTS CO PLC (GB) | 1999-09-29 | — | — | CN | disclosed |
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| CN-1096780-A | Therapeutic agents containing novel tetrahydroisoquinoline compounds | BOOTS CO PLC (GB) | 1994-12-28 | — | — | CN | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |