Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPY2R | P49146 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159618 | 0.86 | POLB (0.56) | ALDH1A1POLBKDM1ACCR1 | |
| SCHEMBL23366613 | 0.84 | S1PR1 (0.48) | ALDH1A1CYP1A2NPY2RMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL17842193 | 0.83 | S1PR1 (0.47) | ALDH1A1CYP1A2NPY2RMEN1KMT2A | |
| SCHEMBL24671897 | 0.78 | POLB (0.53) | ALDH1A1POLBKDM1ACCR1 | |
| SCHEMBL11226541 | 0.78 | POLB (0.58) | ALDH1A1POLBCCR1C3AR1 | |
| SCHEMBL11834924 | 0.77 | CCR1 (0.47) | ALDH1A1CYP1A2POLBNPY2RGAA | |
| SCHEMBL11839863 | 0.75 | ALDH1A1 (0.45) | ALDH1A1CYP1A2POLBNPY2RKDM4E | |
| SCHEMBL11841818 | 0.74 | CYP1A2 (0.50) | ALDH1A1CYP1A2POLBNPY2RCCR1 | |
| SCHEMBL14477846 | 0.73 | GRM5 (0.63) | KMT2AGAAKDM4ENTRK1 | |
| SCHEMBL31654175 | 0.73 | GRM5 (0.63) | KMT2AGAAKDM4ENTRK1 |
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-3984557-A | 1-R-3-PYRROLIDINYL-A-PHENYL-A-(2-PYRIDYL) ACETAMIDES, -ACETONITRILES, AND -METHANES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1976-10-05 | — | — | US | disclosed |
| US-3984557-A | 1-R-3-PYRROLIDINYL-A-PHENYL-A-(2-PYRIDYL) ACETAMIDES, -ACETONITRILES, AND -METHANES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1976-10-05 | — | — | US | disclosed |