Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.82 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL1659384 | 1.00 | TSHR (0.82) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL21064874 | 0.91 | TSHR (1.00) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL19193 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2107550 | 0.88 | — | — | |
| SCHEMBL4431010 | 0.88 | TSHR (0.93) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL3495565 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL584909 | 0.88 | — | — | |
| SCHEMBL1278490 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL5086843 | 0.88 | — | — | |
| Water SCHEMBL1289230 | 0.88 | — | — |
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-0906322-B1 | NOVEL CHIRAL BISPHOSPHINES | MERCK & CO INC (US) | 2003-04-23 | — | — | EP | disclosed |
| US-6043387-A | USEFUL AS KEY COMPONENTS IN CATALYSTS FOR ASYMMETRIC REACTIONS, PROVIDING DESIRABLY HIGH ENANTIOMERIC EXCESS | MERCK & CO., INC. (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0906322-A1 | NOVEL CHIRAL BISPHOSPHINES | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| US-5874629-A | TREATING RACEMIC PHOSPHINYL DERIVATIVE WITH DIBENZOYL-L-TARTARIC ACID A RESOLVING AGENT TO FORM ISOMERS, REDUCING TO PRODUCE CHIRAL BISPHOSPHINES; USED AS CATALYST FOR ASYMMETRIC REACTIONS | MERCK & CO., INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5723615-A | ENZYME INHIBITORS FOR HTLV OR AIDS | MERCK & CO., INC. (US) | 1998-03-03 | — | — | US | disclosed |
| WO-1997047632-A1 | NOVEL CHIRAL BISPHOSPHINES | MERCK & CO., INC. (US) | 1997-12-18 | — | — | WO | disclosed |