Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11779612 | 0.87 | ALDH1A1 (0.87) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL1813803 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL1813802 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| Carbamic Acid SCHEMBL28193601 | 0.80 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL4046483 | 0.79 | SIGMAR1 (0.69) | MEN1KMT2AMAPK1POLBRAB9A | |
| Hydrochloric Acid SCHEMBL5188069 | 0.79 | SIGMAR1 (0.67) | MEN1KMT2AMAPK1POLBRAB9A | |
| SCHEMBL28864893 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL13056714 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL29045794 | 0.77 | FOXM1 (0.62) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL7441223 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 |
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-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | 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 (1 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-20080113966-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | ALDH1A1 3245/4885MEN1 1847/4885KMT2A 4048/4885 |
“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.