Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 8/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12474262 | 0.85 | FFAR1 (0.46) | ESR1ESR2MAPTLMNASMN1; SMN2 | |
| SCHEMBL5090662 | 0.84 | MAPT (0.43) | GAAL3MBTL1ALDH1A1MAPTLMNA | |
| SCHEMBL5093605 | 0.84 | MAPT (0.43) | GAAL3MBTL1ALDH1A1MAPTLMNA | |
| SCHEMBL11226011 | 0.80 | ESR1 (0.42) | ALDH1A1ESR1ESR2MAPTLMNA | |
| SCHEMBL20921292 | 0.80 | L3MBTL1 (0.63) | GAAL3MBTL1ALDH1A1MAPTLMNA | |
| SCHEMBL7396662 | 0.80 | L3MBTL1 (0.63) | GAAL3MBTL1ALDH1A1MAPTLMNA | |
| SCHEMBL11225184 | 0.78 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL9149374 | 0.75 | KDM4E (0.40) | GAAL3MBTL1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL27731335 | 0.75 | ESR1 (0.40) | ESR1ESR2 | |
| SCHEMBL3021109 | 0.74 | FFAR1 (0.62) | ESR1ESR2 |
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-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |