Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20661253 | 0.70 | BACE1 (0.32) | POLBKDM4EHPGDMAPK1HSD17B10 | |
| SCHEMBL20739358 | 0.70 | BACE1 (0.32) | POLBKDM4EHPGDMAPK1HSD17B10 | |
| SCHEMBL20674814 | 0.68 | DPP4 (0.32) | BACE1 | |
| SCHEMBL16724446 | 0.64 | POLB (0.45) | POLBKDM4EHPGDMAPK1HSD17B10 | |
| SCHEMBL7311341 | 0.62 | POLB (0.44) | POLBKDM4EMAPK1HSD17B10MAPT | |
| SCHEMBL2909590 | 0.61 | KMT2A (0.42) | POLBKDM4EMAPK1PDE3BPDE3A | |
| SCHEMBL2910293 | 0.61 | LCK (0.39) | KDM4EHPGDMAPK1HSD17B10MAPT | |
| SCHEMBL14653302 | 0.61 | SMN1; SMN2 (0.49) | KDM4EHPGDMAPK1HSD17B10MAPT | |
| SCHEMBL3753277 | 0.61 | MAPK1 (0.47) | KDM4EHPGDMAPK1HSD17B10MAPT | |
| SCHEMBL13360514 | 0.61 | KDM4E (0.44) | KDM4EMAPK1MAPTALDH1A1TP53 |
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-2019018539-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-01-24 | — | — | WO | disclosed |