Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.43 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13425012 | 0.91 | ALDH1A1 (0.47) | CYP19A1NOTUMKDM4EALDH1A1KMT2A | |
| SCHEMBL12345965 | 0.85 | ALDH1A1 (0.43) | CYP19A1NOTUMGRIA1CACNG8CACNG2 | |
| SCHEMBL30446730 | 0.85 | ALDH1A1 (0.55) | CYP19A1NOTUMKDM4EALDH1A1KMT2A | |
| SCHEMBL1885602 | 0.85 | ALDH1A1 (0.55) | CYP19A1NOTUMKDM4EALDH1A1KMT2A | |
| SCHEMBL13483671 | 0.83 | TSHR (0.43) | CYP19A1NOTUMKDM4EALDH1A1KMT2A | |
| SCHEMBL76833 | 0.82 | ESR2 (0.47) | CYP19A1NOTUMGRIA1CACNG8CACNG2 | |
| SCHEMBL6986420 | 0.82 | ALDH1A1 (0.44) | CYP19A1KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL13241999 | 0.82 | APP (0.46) | CYP19A1NOTUMKDM4EALDH1A1KMT2A | |
| SCHEMBL9267750 | 0.81 | POLB (0.46) | CYP19A1NOTUMKDM4EKMT2AMEN1 | |
| SCHEMBL64405 | 0.79 | ALDH1A1 (0.44) | NOTUMKDM4EALDH1A1KMT2AMEN1 |
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 |