Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.47 |
| ▸ | HTR2C | P28335 | 4/20 | 0.47 |
| ▸ | HTR2B | P41595 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747312 | 0.84 | SLC6A9 (0.65) | SLC6A9PKMMEN1KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL8747055 | 0.83 | PKM (0.54) | SLC6A9PKMMEN1KMT2AMAOA | |
| SCHEMBL9298751 | 0.81 | SLC6A9 (0.54) | SLC6A9PKMHTR2AHTR2CHTR2B | |
| SCHEMBL989918 | 0.81 | SLC6A9 (0.60) | SLC6A9PKMHTR2AHTR2CHTR2B | |
| SCHEMBL8747203 | 0.80 | PKM (0.47) | SLC6A9PKMHTR2AHTR2CHTR2B | |
| SCHEMBL8747118 | 0.79 | PKM (0.54) | SLC6A9PKMMEN1KMT2ACYP3A4 | |
| SCHEMBL8747215 | 0.77 | PKM (0.54) | SLC6A9PKMHTR2AHTR2CHTR2B | |
| SCHEMBL8747147 | 0.76 | PKM (0.46) | SLC6A9PKMHTR2AHTR2CMEN1 | |
| SCHEMBL989030 | 0.76 | SLC6A9 (0.54) | SLC6A9PKMCYP3A4MAOA | |
| SCHEMBL8747148 | 0.76 | PKM (0.55) | SLC6A9PKMHTR2AHTR2CHTR2B |
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 4 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 |
| 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 |