Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL7597072 | 1.00 | ALDH1A1 (0.49) | ALDH1A1XBP1HTTRAB9ACYP2D6 | |
| SCHEMBL7510531 | 0.82 | ALDH1A1 (0.49) | ALDH1A1XBP1HTTRAB9AMEN1 | |
| SCHEMBL9054763 | 0.80 | HTR2C (0.42) | ALDH1A1CYP2D6ADRA2AADRA1AHTR1A | |
| SCHEMBL12182299 | 0.77 | CHRNB2 (0.60) | ALDH1A1XBP1HTTRAB9AMAOA | |
| SCHEMBL3053926 | 0.77 | CHRNB2 (0.60) | ALDH1A1XBP1HTTRAB9AMAOA | |
| SCHEMBL12182270 | 0.77 | CHRNB2 (0.60) | ALDH1A1XBP1HTTRAB9AMAOA | |
| SCHEMBL7517086 | 0.75 | HTR2C (0.38) | HTR1AMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL7517081 | 0.75 | HTR2C (0.38) | HTR1AMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL7117305 | 0.73 | MAOA (0.60) | ALDH1A1XBP1HTTRAB9AMAOA | |
| SCHEMBL7597118 | 0.73 | ALDH1A1 (0.52) | ALDH1A1XBP1HTTRAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1198463-A2 | COMPOUNDS FOR USE IN TREATMENT OF NEUROLOGICAL DISORDERS | AstraZeneca UK Limited (GB) | 2002-04-24 | — | — | EP | disclosed |
| WO-2000078751-A2 | COMPOUNDS FOR USE IN TREATMENT OF NEUROLOGICAL DISORDERS | ASTRAZENECA UK LIMITED (GB) | 2000-12-28 | — | — | WO | disclosed |