Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL515589 | 0.80 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP2C9CYP2C19ADRA2C | |
| SCHEMBL7480934 | 0.74 | CYP2D6 (0.47) | CYP2D6CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL14224817 | 0.73 | CYP3A4 (0.53) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| SCHEMBL186191 | 0.73 | CYP3A4 (0.53) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| SCHEMBL14541701 | 0.73 | CYP3A4 (0.53) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| SCHEMBL28042294 | 0.73 | CYP2D6 (0.50) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| Hydrochloric Acid SCHEMBL29424742 | 0.73 | CYP2D6 (0.46) | CYP2D6CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL7051224 | 0.72 | ADRA2C (0.52) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| SCHEMBL354931 | 0.72 | ADRA2C (0.57) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 | |
| SCHEMBL9410650 | 0.72 | HTR2A (0.52) | CYP2D6CYP3A4CYP2C9CYP2C19CHRM2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828703-B1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO INC (US) | 2000-09-20 | — | — | EP | disclosed |
| EP-0805790-B1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | MERCK & CO INC (US) | 1999-11-24 | — | — | EP | disclosed |
| EP-0828703-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | Merck & Co., Inc. (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5698741-A | HIV REVERSE TRANSCRIPTASE INHIBITOR | MERCK & CO. INC. (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0805790-A1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| US-5663467-A | BASIC REACTION OF 5-HALO-1-PENTYNE IN APROTIC SOLVENT, HEATING AND CYCLIZATION THEN QUENCHING | MERCK & CO., INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5633405-A | REACTING SUBSTITUTED NOREPHEDRINE WITH CYCLOPROPYLACETYLENE AND LITHIATING AGENT IN APROTIC SOLVENT, MIXING WITH ANILINE TRIFLUOROMETHYL KETONE, QUENCHING WITH PROTON SOURCE | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| WO-1996037457-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO., INC. (US) | 1996-11-28 | — | — | WO | disclosed |
| WO-1996022955-A1 | IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |