Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL28177874 | 0.74 | BCAT2 (0.41) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B | |
| SCHEMBL8734298 | 0.74 | BCAT2 (0.59) | BCAT2KDM4ENPC1RAB9AKEAP1 | |
| SCHEMBL9789603 | 0.73 | BCAT2 (0.49) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B | |
| SCHEMBL83923 | 0.69 | KDM4E (0.50) | BCAT2KDM4EPARP1ALDH1A1TSHR | |
| SCHEMBL31227244 | 0.68 | BCAT2 (0.55) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B | |
| SCHEMBL1648463 | 0.68 | BCAT2 (0.55) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B | |
| SCHEMBL11794524 | 0.68 | GRM5 (0.47) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B | |
| Ammonia Solution, Strong SCHEMBL4442413 | 0.67 | KDM4E (0.49) | BCAT2KDM4EPARP1ALDH1A1TSHR | |
| SCHEMBL3205428 | 0.67 | PARP1 (0.36) | KDM4EPARP1MAPT | |
| SCHEMBL31531876 | 0.67 | BCAT2 (0.53) | BCAT2KDM4ECSNK1A1TYRO3DYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| US-4398044-A | Synthesis of acetyl-T-alkanes | ELI LILLY AND COMPANY (US) | 1983-08-09 | — | — | US | disclosed |