Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.31 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2540120 | 0.80 | ESR1 (0.35) | ALDH1A1ESR1SMN1; SMN2GRM2 | |
| SCHEMBL7849438 | 0.75 | ESR1 (0.33) | ALDH1A1ESR1 | |
| SCHEMBL2536094 | 0.75 | KCNE1 (0.33) | ALDH1A1ESR1KCNE1KCNQ1 | |
| SCHEMBL7849449 | 0.75 | SMN1; SMN2 (0.51) | ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL7849862 | 0.75 | OPRM1 (0.36) | ALDH1A1NR4A1OPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL7839475 | 0.74 | KEAP1 (0.39) | ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL2537926 | 0.73 | ESR1 (0.33) | ESR1 | |
| SCHEMBL2537879 | 0.70 | NPC1 (0.33) | ALDH1A1OPRM1SMN1; SMN2 | |
| SCHEMBL7839570 | 0.69 | KDM4E (0.38) | ALDH1A1ESR1POLBNR4A1 | |
| SCHEMBL11324580 | 0.69 | TP53 (0.38) | ALDH1A1ESR1SMN1; SMN2NPSR1 |
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-1115704-A1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | Boehringer Ingelheim Pharma KG (DE) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018734-A1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-04-06 | — | — | WO | disclosed |