Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 5/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6583376 | 0.84 | KCNH2 (0.56) | KCNH2EPHX2MGLLCDC7CDK2 | |
| SCHEMBL5737999 | 0.81 | KCNH2 (0.50) | KCNH2EPHX2MGLLFFAR4KDM4E | |
| SCHEMBL12069041 | 0.77 | SCN9A (0.52) | KCNH2CDC7CDK2FFAR4CYP19A1 | |
| SCHEMBL5735272 | 0.76 | KCNH2 (0.60) | KCNH2EPHX2MGLLBIRC5PGR | |
| SCHEMBL4572982 | 0.76 | KCNH2 (0.60) | KCNH2EPHX2MGLLCDC7CDK2 | |
| SCHEMBL31165290 | 0.76 | KCNH2 (0.60) | KCNH2EPHX2MGLLBIRC5KDM4E | |
| SCHEMBL9463558 | 0.76 | KCNH2 (0.65) | KCNH2EPHX2MGLLCYP19A1BIRC5 | |
| SCHEMBL4296315 | 0.76 | KCNH2 (0.60) | KCNH2EPHX2MGLLBIRC5KDM4E | |
| SCHEMBL22204996 | 0.76 | KCNH2 (0.60) | KCNH2EPHX2MGLLBIRC5KDM4E | |
| SCHEMBL4295429 | 0.76 | KCNH2 (0.60) | KCNH2CYP19A1BIRC5 |
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-6602889-B1 | 5-heteroaryl substituted indoles | H. LUNDBECK A.S. (DK) | 2003-08-05 | — | — | US | disclosed |
| EP-1068198-B1 | 5-HETEROARYL SUBSTITUTED INDOLES | LUNDBECK & CO AS H (DK) | 2003-05-28 | — | — | EP | disclosed |
| EP-1068198-A1 | 5-HETEROARYL SUBSTITUTED INDOLES | H.Lundbeck A/S (DK) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999046259-A1 | 5-HETEROARYL SUBSTITUTED INDOLES | H. LUNDBECK A/S (DK) | 1999-09-16 | — | — | WO | disclosed |