Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | DRD1 | P21728 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12658727 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL8427824 | 0.78 | KMT2A (0.42) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL434743 | 0.78 | CYP2D6 (0.56) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL4445537 | 0.78 | CYP2D6 (0.72) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL844392 | 0.77 | CYP2D6 (0.55) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL31490354 | 0.77 | POLB (0.58) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL440638 | 0.77 | POLB (0.58) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL1904189 | 0.77 | CYP2D6 (0.55) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| Hydrochloric Acid SCHEMBL5379223 | 0.77 | CYP2D6 (0.55) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT | |
| SCHEMBL21457785 | 0.76 | CYP2D6 (0.39) | ALDH1A1KMT2ACYP2D6CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5081131-A | Omega-((hetero)alkyl)benz(cd)-indol-2-amines | AMERICAN CYANAMID COMPANY (US) | 1992-01-14 | — | — | US | disclosed |
| EP-0230035-A2 | Omega-[(hetero)alkyl]benz[cd]indol-2-amines | AMERICAN CYANAMID COMPANY (US) | 1987-07-29 | — | — | EP | disclosed |