Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5208871 | 0.83 | CES2 (0.52) | CES2CES1KMT2AMAPTDAO | |
| Hydrochloric Acid SCHEMBL28855880 | 0.81 | CES2 (0.50) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL29164971 | 0.81 | KMT2A (0.48) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL18920866 | 0.77 | KMT2A (0.48) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL27513494 | 0.76 | KMT2A (0.58) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL497126 | 0.76 | — | — | |
| SCHEMBL28738208 | 0.76 | KMT2A (0.67) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL3268211 | 0.76 | CES2 (0.62) | CES2CES1KMT2AMAPTDAO | |
| SCHEMBL7647867 | 0.76 | CES2 (0.62) | CES2CES1KMT2AMAPTDAO | |
| Hydrochloric Acid SCHEMBL9046846 | 0.75 | KMT2A (0.65) | CES2CES1KMT2AMAPTDAO |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024114782-A1 | SMALL-MOLECULE MODULATORS OF SPIKE PROTEIN | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2024-06-06 | — | — | WO | claimed |
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |
| WO-2024114782-A1 | SMALL-MOLECULE MODULATORS OF SPIKE PROTEIN | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2024-06-06 | — | — | WO | disclosed |
| EP-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |
| US-4008271-A | Process for preparing a mixed anhydride of a sulfonic acid and a carboxylic acid | ETHYL CORPORATION (US) | 1977-02-15 | — | — | US | disclosed |
| US-3935216-A | Preparation of toluoyl-5-pyrryl-2-acetonitrile | ETHYL CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |