Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 7/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8564995 | 0.99 | ADRA1D (0.41) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL8564252 | 0.99 | ADRA1D (0.41) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| SCHEMBL8568640 | 0.84 | KMT2A (0.42) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| SCHEMBL8565777 | 0.84 | KMT2A (0.42) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| SCHEMBL8565468 | 0.83 | ACACB (0.41) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL8567031 | 0.82 | ACACB (0.41) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL8570648 | 0.82 | ACACB (0.41) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| SCHEMBL9854607 | 0.80 | HDAC3 (0.57) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL8566808 | 0.79 | HDAC3 (0.56) | ADRA1DADRA1AADRA1BKMT2ASIGMAR1 | |
| SCHEMBL8568598 | 0.79 | CA1 (0.44) | — |
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-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | claimed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |