Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3798 | 0.93 | — | — | |
| SCHEMBL14764287 | 0.93 | CES2 (0.65) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL27678000 | 0.91 | — | — | |
| SCHEMBL27587621 | 0.87 | CES2 (0.58) | CES2CES1DAONPC1RAB9A | |
| Thiophene Carboxylic Acid SCHEMBL19386054 | 0.85 | DAO (0.79) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL25303059 | 0.84 | DAO (0.58) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL28193918 | 0.83 | CES2 (0.54) | CES2CES1DAONPC1RAB9A | |
| Malonic Acid SCHEMBL10682503 | 0.82 | DAO (0.55) | CES2CES1DAONPC1RAB9A | |
| Phenol SCHEMBL27607479 | 0.82 | DAO (0.55) | CES2CES1DAONPC1RAB9A | |
| Resorcinol SCHEMBL29173040 | 0.80 | CES2 (0.50) | CES2CES1DAONPC1RAB9A |
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-2005009104-A2 | BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS | LIGAND PHARMACUETICALS INCORPORATED (US) | 2005-02-03 | — | — | WO | disclosed |