Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1513045 | 0.82 | CES2 (0.57) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL10997315 | 0.81 | AKR1C3 (0.66) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL4781877 | 0.80 | LTA4H (0.46) | CES2CES1NPC1MEN1KMT2A | |
| SCHEMBL29963651 | 0.79 | MAPT (0.65) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL9397130 | 0.79 | POLB (0.54) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL4416792 | 0.79 | MAPT (0.65) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL5531918 | 0.79 | AKR1C3 (0.61) | MEN1KMT2ALMNAKDM4EMAPT | |
| SCHEMBL1258944 | 0.79 | CES2 (0.74) | CES2CES1PARP1NPC1MEN1 | |
| Hydrochloric Acid SCHEMBL27671270 | 0.78 | CES2 (0.52) | CES2CES1PARP1NPC1MEN1 | |
| SCHEMBL29623677 | 0.77 | ATM (0.71) | CES2CES1PARP1NPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968198-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE | Elan Pharmaceuticals, Inc. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998038177-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE | ELAN PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | disclosed |