Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 3/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.35 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1225572 | 0.84 | DGAT2 (0.35) | CES2CES1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2588409 | 0.70 | MME (0.41) | USP2SMN1; SMN2RAB9ACYP1A2LTA4H | |
| SCHEMBL4064748 | 0.70 | SHMT1 (0.40) | USP2HTTSMN1; SMN2FABP4FABP5 | |
| SCHEMBL4192601 | 0.70 | CTSD (0.37) | USP2HTTSMN1; SMN2ERAP1CNR2 | |
| SCHEMBL1840032 | 0.70 | NPC1 (0.46) | NPC1RAB9ADRD2HSD11B1 | |
| SCHEMBL13502664 | 0.69 | CNR2 (0.42) | USP2HTTSMN1; SMN2FABP4FABP5 | |
| SCHEMBL19367869 | 0.68 | CES1 (0.59) | CES2CES1USP2HTTSMN1; SMN2 | |
| SCHEMBL1225573 | 0.68 | DRD2 (0.36) | CES2CES1NPC1RAB9ADRD2 | |
| SCHEMBL14398111 | 0.68 | CYP2C19 (0.33) | CYP1A2LTA4H | |
| SCHEMBL7220761 | 0.67 | CES1 (0.52) | CES2CES1HTTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024358-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133491-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-22 | — | — | WO | disclosed |