Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 5/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997327 | 1.00 | CYP2C9 (0.45) | CYP2C9CYP3A4APPALDH1A1LMNA | |
| SCHEMBL9809516 | 0.93 | CYP3A4 (0.43) | CYP2C9CYP3A4APPAKR1C3AKR1C2 | |
| SCHEMBL8997323 | 0.92 | CYP3A4 (0.42) | CYP2C9CYP3A4APPMAPTAKR1C3 | |
| SCHEMBL8997314 | 0.92 | CYP3A4 (0.42) | CYP2C9CYP3A4APPMAPTAKR1C3 | |
| SCHEMBL15744300 | 0.91 | CYP2C9 (0.44) | CYP2C9CYP3A4APPALDH1A1LMNA | |
| SCHEMBL9319293 | 0.91 | CYP3A4 (0.46) | CYP2C9CYP3A4APPAKR1C3AKR1C2 | |
| SCHEMBL9809581 | 0.91 | CYP3A4 (0.46) | CYP2C9CYP3A4APPAKR1C3AKR1C2 | |
| SCHEMBL165846 | 0.91 | CYP2C9 (0.49) | CYP2C9CYP3A4APPALDH1A1LMNA | |
| SCHEMBL19789502 | 0.91 | CYP2C9 (0.49) | CYP2C9CYP3A4APPALDH1A1LMNA | |
| SCHEMBL165845 | 0.91 | CYP2C9 (0.49) | CYP2C9CYP3A4APPALDH1A1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0471831-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1996-08-14 | — | — | EP | disclosed |
| US-5389289-A | Chemical and heat resistance | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0471831-A1 | LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1992-02-26 | — | — | EP | disclosed |
| WO-1991013947-A2 | LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-09-19 | — | — | WO | disclosed |
| EP-0427829-A1 | TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 1991-05-22 | — | — | EP | disclosed |
| WO-1990014404-A1 | TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-29 | — | — | WO | disclosed |