Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8968721 | 0.85 | KDM4E (0.38) | ALDH1A1L3MBTL1KDM4ELMNATSHR | |
| SCHEMBL8969949 | 0.81 | HRH4 (0.32) | ALDH1A1CYP2C19 | |
| SCHEMBL8968606 | 0.81 | ACHE (0.39) | KCNH2HRH3ADRA1APARP1 | |
| SCHEMBL8969096 | 0.81 | XPO1 (0.36) | KCNH2HRH3PDE10ACHRNB2CHRNA4 | |
| SCHEMBL8968811 | 0.73 | LRRK2 (0.38) | KCNH2HRH3CHRNB2CHRNA4HTR2B | |
| SCHEMBL8969661 | 0.69 | BCHE (0.34) | ALDH1A1L3MBTL1KDM4ELMNATSHR | |
| SCHEMBL8969422 | 0.69 | HRH4 (0.34) | PARP1 | |
| SCHEMBL8970437 | 0.68 | MPO (0.36) | — | |
| SCHEMBL8969453 | 0.68 | ACHE (0.45) | HRH3CHRNB2CHRNA4PARP1 | |
| SCHEMBL8969462 | 0.68 | PIK3CD (0.31) | — |
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-5486512-A | LEARNING ENHANCEMENT | WARNER-LAMBERT COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1993003034-A1 | QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1993-02-18 | — | — | WO | disclosed |