Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110459 | 0.80 | CYP2C19 (0.47) | — | |
| SCHEMBL14294339 | 0.72 | HCAR3 (0.42) | ESR1ESR2HCAR3ALDH1A1HPGD | |
| SCHEMBL991740 | 0.69 | HCAR3 (0.44) | ESR1ESR2HCAR3ALDH1A1BLM | |
| SCHEMBL5940546 | 0.67 | GOT1 (0.50) | ESR1ESR2HCAR3ALDH1A1BLM | |
| SCHEMBL27401621 | 0.67 | MAPT (0.50) | HCAR3ALDH1A1HPGDSMN1; SMN2PIM1 | |
| SCHEMBL4757637 | 0.67 | L3MBTL1 (0.48) | ALDH1A1L3MBTL1HPGDSMN1; SMN2LMNA | |
| SCHEMBL4889623 | 0.67 | HCAR3 (0.41) | ESR1ESR2HCAR3ALDH1A1HPGD | |
| SCHEMBL14734750 | 0.66 | MEN1 (0.32) | SMN1; SMN2HTT | |
| SCHEMBL1778120 | 0.65 | — | — | |
| SCHEMBL4247629 | 0.65 | RRM2 (0.35) | HCAR3ALDH1A1HPGDSMN1; SMN2TNIK |
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-1326831-A1 | SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES | NEUROGEN CORPORATION (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002020480-A1 | SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES | NEUROGEN CORPORATION (US) | 2002-03-14 | — | — | WO | disclosed |