Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2312332 | 0.83 | MEN1 (0.53) | CYP2D6KMT2AMEN1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL2309353 | 0.82 | MEN1 (0.51) | CYP2D6KMT2AMEN1OPRD1 | |
| SCHEMBL23909932 | 0.78 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 | |
| SCHEMBL23909892 | 0.78 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 | |
| SCHEMBL11835191 | 0.78 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 | |
| SCHEMBL28971803 | 0.76 | MDM4 (0.39) | KMT2ACHRM2CHRM1MEN1HSD11B1 | |
| SCHEMBL761343 | 0.75 | MAPT (0.33) | SLC6A2SLC6A4 | |
| SCHEMBL2132365 | 0.75 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 | |
| SCHEMBL4523411 | 0.75 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 | |
| SCHEMBL3285780 | 0.75 | CYP2D6 (0.50) | CYP2D6KMT2ACHRM2CHRM1HSD11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| WO-1997016446-A1 | BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-09 | — | — | WO | disclosed |