Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.52 |
| ▸ | DAO | P14920 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11335574 | 0.84 | ALDH1A1 (0.50) | SLC6A3DAOSLC6A4HTR6SLC6A2 | |
| SCHEMBL931348 | 0.84 | SIGMAR1 (0.49) | SLC6A3DAOHSD17B10SIGMAR1 | |
| SCHEMBL8402666 | 0.83 | DAO (0.49) | SLC6A3DAOSLC6A4HTR6SLC6A2 | |
| SCHEMBL8411258 | 0.78 | SLC6A3 (0.73) | SLC6A3SLC6A4DRD2HTR6SLC6A2 | |
| SCHEMBL14894061 | 0.77 | KCNH2 (0.40) | SLC6A3DAOSLC6A4DRD2SLC6A2 | |
| SCHEMBL6415266 | 0.76 | HTR7 (0.48) | SLC6A3DAOSLC6A4DRD2SLC6A2 | |
| SCHEMBL20569164 | 0.76 | SLC6A3 (0.54) | SLC6A3DAOHSD17B10SLC6A4DRD2 | |
| SCHEMBL28547803 | 0.75 | MCHR1 (0.47) | SLC6A3DAOHSD17B10SIGMAR1 | |
| SCHEMBL7986031 | 0.75 | SIGMAR1 (0.58) | SLC6A3DAOSLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL16107350 | 0.75 | KCNJ1 (0.63) | SLC6A4KCNH2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, CALCRL, BDKRB2 | SLC6A3 1011/4885DAO 3357/4885HSD17B10 3249/4885 |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CALCRL | SLC6A3 1096/4885DAO 3312/4885HSD17B10 3184/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.