Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL607802 | 1.00 | EPHX1 (0.58) | EPHX1APPADRB2BRD4FFAR2 | |
| SCHEMBL607803 | 1.00 | EPHX1 (0.58) | EPHX1APPADRB2BRD4FFAR2 | |
| SCHEMBL5787219 | 0.94 | EPHX1 (0.53) | EPHX1APPADRB2BRD4FFAR2 | |
| SCHEMBL2171656 | 0.89 | EPHX1 (0.49) | EPHX1APPADRB2BRD4FFAR2 | |
| SCHEMBL27536656 | 0.82 | BRD4 (0.52) | ADRB2BRD4FFAR2HDAC4HDAC7 | |
| SCHEMBL11809708 | 0.81 | APP (0.52) | EPHX1APPLMNACYP2C9CYP1A2 | |
| Guanidine SCHEMBL5348313 | 0.80 | PTGS2 (0.52) | APPADRB2LMNACYP2C9NFKB1 | |
| SCHEMBL598280 | 0.80 | PTGS2 (0.61) | APPADRB2BRD4FFAR2LMNA | |
| SCHEMBL3261236 | 0.80 | EPHX1 (0.60) | EPHX1APPLMNACYP2C9NFKB1 | |
| SCHEMBL1064971 | 0.80 | EPHX1 (0.60) | EPHX1APPLMNACYP2C9CYP3A4 |
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-0759426-B1 | Process for the preparation of optically active 1-aryl-alkylamines | BAYER AG (DE) | 2001-11-28 | — | — | EP | disclosed |
| US-5773656-A | Process for the preparation of optically active 1-aryl-alkylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-30 | — | — | US | disclosed |
| EP-0759425-A2 | Process for the preparation of optically active 1-aryl-alkylamines | BAYER AG (DE) | 1997-02-26 | — | — | EP | disclosed |
| EP-0759426-A2 | Process for the preparation of optically active 1-aryl-alkylamines | BAYER AG (DE) | 1997-02-26 | — | — | EP | disclosed |