Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.74 |
| ▸ | HTR1A | P08908 | 5/20 | 0.70 |
| ▸ | HTR1B | P28222 | 5/20 | 0.70 |
| ▸ | DRD2 | P14416 | 2/20 | 0.70 |
| ▸ | HTR2C | P28335 | 2/20 | 0.70 |
| ▸ | HRH1 | P35367 | 2/20 | 0.70 |
| ▸ | MLNR | O43193 | 1/20 | 0.70 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.70 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.70 |
| ▸ | CNR1 | P21554 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL8640447 | 0.93 | HTR1A (0.78) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9153282 | 0.88 | KCNH2 (0.77) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9149109 | 0.88 | KCNH2 (0.86) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9147663 | 0.88 | KCNH2 (0.77) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9150997 | 0.87 | KCNH2 (0.75) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL7288219 | 0.85 | KCNH2 (1.00) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL1135593 | 0.85 | HTR1A (0.86) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9147736 | 0.85 | KCNH2 (0.73) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9149845 | 0.85 | KCNH2 (0.82) | KCNH2HTR1AHTR1BDRD2HTR2C | |
| SCHEMBL9150279 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5457115-A | Treating anxiety, depression, sleep disorders, migranes, schizophrenia or Parkinson's disease in humans | H. LUNDBECK A/S (DK) | 1995-10-10 | — | — | US | disclosed |
| EP-0465398-B1 | Novel indole derivatives | LUNDBECK & CO AS H (DK) | 1994-12-14 | — | — | EP | disclosed |
| US-5322851-A | Indole derivatives | H. LUNDBECK A/S (DK) | 1994-06-21 | — | — | US | disclosed |
| US-5216001-A | Central nervous system disorders | H. LUNBECK A/S (DK) | 1993-06-01 | — | — | US | disclosed |