Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HASPIN | Q8TF76 | 6/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.35 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22445531 | 0.80 | HASPIN (0.47) | HASPINGSK3BHIPK2CLK1DAPK3 | |
| SCHEMBL31614113 | 0.80 | HASPIN (0.47) | HASPINGSK3BHIPK2CLK1DAPK3 | |
| SCHEMBL11213278 | 0.78 | TSHR (0.57) | TSHRMAPTLMNAABCC8KCNJ11 | |
| SCHEMBL10923361 | 0.76 | HASPIN (0.47) | HASPINGSK3BHIPK2CLK1DAPK3 | |
| SCHEMBL8706865 | 0.76 | ESR1 (0.48) | HASPINGSK3BHIPK2CLK1DAPK3 | |
| SCHEMBL11742621 | 0.76 | MAPT (0.45) | HASPINGSK3BHIPK2MAPTHTT | |
| SCHEMBL11736162 | 0.74 | CLK1 (0.39) | HIPK2CLK1MAPTKDM5AKDM4C | |
| SCHEMBL11741973 | 0.74 | CLK1 (0.39) | HIPK2CLK1MAPTHTTKDM5A | |
| SCHEMBL11738139 | 0.73 | NCOA3 (0.44) | HASPINGSK3BHIPK2CLK1DAPK3 | |
| SCHEMBL6644857 | 0.72 | CLK1 (0.45) | CLK1MAPTHTTLMNAKDM5A |
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-4062961-A | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES | SMITHKLINE CORPORATION (US) | 1977-12-13 | — | — | US | disclosed |
| US-3988339-A | 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE | SMITHKLINE CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |