Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.51 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9476279 | 1.00 | AKR1C3 (0.51) | AKR1C3GLO1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL11547520 | 0.91 | GLO1 (0.57) | AKR1C3GLO1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL11246694 | 0.90 | CYP1A2 (0.55) | AKR1C3CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL5407155 | 0.85 | GLO1 (0.48) | AKR1C3GLO1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL5407153 | 0.85 | GLO1 (0.48) | AKR1C3GLO1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL2500243 | 0.83 | AKR1C3 (0.63) | AKR1C3CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL2500244 | 0.83 | AKR1C3 (0.63) | AKR1C3CYP1A2CYP2C9ALDH1A1KMT2A | |
| SCHEMBL5753360 | 0.83 | GLO1 (0.46) | AKR1C3GLO1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL6960584 | 0.83 | GLO1 (0.46) | GLO1CYP1A2CYP2C9FBP1GAA | |
| SCHEMBL6960592 | 0.83 | GLO1 (0.46) | GLO1CYP1A2CYP2C9FBP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5202330-A | Hypotensive and cardiovascular agent, reduces blood pressure in mammals | E. R. SQUIBB & SONS, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0204317-A2 | 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1986-12-10 | — | — | EP | disclosed |