Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6865610 | 0.77 | PIM1 (0.45) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL68229 | 0.73 | GPR3 (0.41) | CYP2D6MEN1CYP1A2POLBKMT2A | |
| SCHEMBL8910040 | 0.70 | HTR2A (0.45) | CYP2D6BCHESLC6A2HTR2CACHE | |
| SCHEMBL8910760 | 0.70 | CYP2D6 (0.40) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL11011473 | 0.69 | CYP2D6 (0.40) | CYP2D6GRM1SLC6A2HTR2CGRM5 | |
| SCHEMBL16835553 | 0.69 | HTR2C (0.46) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL29697456 | 0.69 | MAOA (0.46) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL5133396 | 0.69 | MAOA (0.41) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL904813 | 0.69 | MAOA (0.41) | CYP2D6GRM1BCHESLC6A2HTR2C | |
| SCHEMBL7400164 | 0.69 | HTR2C (0.39) | CYP2D6GRM1BCHESLC6A2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |