Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.41 |
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 SCHEMBL8567003 | 0.99 | HTR2A (0.51) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8563091 | 0.88 | HDAC3 (0.52) | HTR2AADRA1DADRA1AADRA1BHDAC3 | |
| SCHEMBL8567572 | 0.85 | HTR2A (0.55) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8567680 | 0.84 | HTR2A (0.54) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8566373 | 0.82 | HTR2A (0.58) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8569866 | 0.81 | HTR2A (0.44) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8569582 | 0.81 | HTR2A (0.57) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8566387 | 0.81 | HTR2A (0.59) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8565468 | 0.78 | ACACB (0.41) | HTR2AKCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8570648 | 0.78 | ACACB (0.41) | KCNH2ADRA1DADRA1AADRA1B |
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 |