Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.39 |
| ▸ | PPARD | Q03181 | 6/20 | 0.39 |
| ▸ | PPARA | Q07869 | 6/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28176403 | 0.91 | GPR84 (0.52) | CES1CES2ALDH1A1AKR1B1THRB | |
| SCHEMBL7697782 | 0.86 | HDAC3 (0.43) | CES1CES2ALDH1A1AKR1B1THRB | |
| SCHEMBL18047805 | 0.79 | CES1 (0.46) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL6206997 | 0.78 | CES1 (0.52) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL28006031 | 0.77 | CES1 (0.44) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL357800 | 0.76 | FNTA (0.54) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL1908244 | 0.76 | FNTA (0.54) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL357799 | 0.76 | FNTA (0.54) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL6067584 | 0.76 | CES1 (0.48) | CES1CES2ALDH1A1AKR1B1TP53 | |
| Acetic Acid SCHEMBL27601436 | 0.75 | CES1 (0.52) | CES1CES2ALDH1A1AKR1B1TP53 |
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-3976185-A1 | HECT E3 LIGASE INHIBITORS AND USES THEREOF | IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) | 2022-04-06 | — | — | EP | disclosed |
| US-4902694-A | TREATING CONGESTIVE HEART FAILURE | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |