Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.93 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.93 |
| ▸ | NPC1 | O15118 | 1/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.93 |
| ▸ | HPGD | P15428 | 1/20 | 0.93 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.93 |
| ▸ | RAB9A | P51151 | 1/20 | 0.93 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL100361 | 0.98 | CYP2D6 (0.96) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| SCHEMBL239738 | 0.98 | CYP2D6 (0.96) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| SCHEMBL100360 | 0.98 | CYP2D6 (0.96) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| SCHEMBL7446968 | 0.96 | CYP2D6 (0.93) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9277459 | 0.96 | CYP2D6 (1.00) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| Pipradrol SCHEMBL156360 | 0.93 | CYP2D6 (0.87) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| Pipradrol SCHEMBL4057811 | 0.91 | CYP2D6 (0.90) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| Sulfuric Acid SCHEMBL9452303 | 0.90 | CYP2D6 (0.82) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| SCHEMBL6295242 | 0.89 | CYP2D6 (0.79) | CYP2D6MAPK1KDM4ENPC1CYP1A2 | |
| SCHEMBL5054811 | 0.89 | CYP2D6 (0.79) | CYP2D6MAPK1KDM4ENPC1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0668266-B1 | Process for preparing 1,1-diarylprolinols | MERCK & CO INC (US) | 2000-02-02 | — | — | EP | disclosed |
| EP-0962451-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0668266-A1 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| US-5264585-A | Reaction of diarylmethanol with boroxanine | MERCK & CO., INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5189177-A | Chiral boron catalysts for reduction of ketones and process for their preparation | MERCK & CO., INC. (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0453298-A2 | Chiral catalysts for reduction of ketones and process for their preparation | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | disclosed |
| US-5039802-A | Arylation process for preparation of chiral catalysts for ketone reduction | MERCK & CO., INC. (US) | 1991-08-13 | — | — | US | disclosed |