Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 14/20 | 0.56 |
| ▸ | DRD2 | P14416 | 7/20 | 0.56 |
| ▸ | DRD5 | P21918 | 4/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | GPR183 | P32249 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747167 | 0.94 | MAOA (0.49) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747209 | 0.91 | DRD1 (0.46) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747165 | 0.90 | DRD1 (0.53) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747135 | 0.90 | DRD1 (0.45) | DRD1DRD2DRD5DRD4TSHR | |
| Bromide SCHEMBL8747292 | 0.89 | DRD1 (0.44) | DRD1DRD2DRD5DRD4TSHR | |
| Bromide SCHEMBL8747151 | 0.89 | DRD1 (0.52) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747050 | 0.89 | DRD1 (0.47) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747125 | 0.88 | DRD1 (0.55) | DRD1DRD2DRD5TSHRMAPK1 | |
| Bromide SCHEMBL8747356 | 0.87 | DRD1 (0.54) | DRD1DRD2DRD5TSHRMAPK1 | |
| SCHEMBL8747078 | 0.87 | DRD1 (0.44) | DRD1DRD2DRD5DRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |