Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11679024 | 0.98 | CYP3A4 (0.39) | KCNH2SIGMAR1CYP2B6GRIN2DGRIN3B | |
| SCHEMBL11679532 | 0.89 | CYP3A4 (0.33) | KCNH2SIGMAR1CYP2B6GRIN2DGRIN3B | |
| SCHEMBL20091630 | 0.81 | CYP3A4 (0.40) | KCNH2SIGMAR1CYP2B6GRIN2DGRIN3B | |
| SCHEMBL2486157 | 0.78 | CYP3A4 (0.39) | KCNH2SIGMAR1CYP2B6GRIN2DGRIN3B | |
| SCHEMBL11224104 | 0.77 | LMNA (0.48) | SIGMAR1CYP2C9CYP2C19TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL28024977 | 0.76 | CYP3A4 (0.38) | KCNH2SIGMAR1CYP2B6SLC6A3CYP3A4 | |
| SCHEMBL11661164 | 0.74 | CYP3A4 (0.35) | KCNH2SIGMAR1CYP2B6GRIN2DGRIN3B | |
| SCHEMBL7948067 | 0.71 | L3MBTL1 (0.36) | CYP2B6CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL27594859 | 0.70 | SLC6A3 (0.34) | KCNH2SIGMAR1CYP2B6SLC6A2SLC6A3 | |
| SCHEMBL7947121 | 0.68 | TSHR (0.38) | CYP2C19CYP2D6TSHRTDP1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0939070-B1 | Process for the preparation of six-ring carbocyclic compounds | BAYER MATERIALSCIENCE AG (DE) | 2004-06-23 | — | — | EP | disclosed |
| US-6255530-B1 | RING HYDROGENATING AN AROMATIC COMPOUND IN AN IMMISCIBLE PHASE IN WHICH HYDROGEN IS DISPERSED IN A REACTION SYSTEM COMPRISING A FIRST AND SECOND PHASE THAT FORMS TWO LIQUIDS;METAL COLLOID CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |
| EP-0939070-A1 | Process for the preparation of six-ring carbocyclic compounds | Bayer Aktiengesellschaft (DE) | 1999-09-01 | — | — | EP | disclosed |
| US-4145559-A | Esters of 4-substituted 2-methyleneglutaric acids and method for preparing same | ROHM AND HAAS COMPANY (US) | 1979-03-20 | — | — | US | disclosed |