Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3352258 | 0.83 | NTRK1 (0.39) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL3235804 | 0.81 | LDHA (0.33) | RAB9ANPC1SMN1; SMN2CYP1A2MAPT | |
| SCHEMBL3237908 | 0.81 | NPC1 (0.30) | RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL2150027 | 0.78 | NPC1 (0.34) | RAB9ANPC1 | |
| SCHEMBL2149035 | 0.78 | — | — | |
| SCHEMBL3633919 | 0.77 | MEN1 (0.45) | CYP1A2GFERMEN1KMT2AGAA | |
| SCHEMBL3230237 | 0.77 | PTGDR2 (0.32) | GFER | |
| SCHEMBL3239111 | 0.77 | KDM4E (0.32) | SMN1; SMN2GFERMEN1KMT2AGAA | |
| SCHEMBL3243756 | 0.76 | BRD4 (0.36) | RAB9ANPC1SMN1; SMN2GFERMEN1 | |
| SCHEMBL3347259 | 0.75 | PTGDR2 (0.46) | SMN1; SMN2LMNATSHRHTTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |