Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | EED | O75530 | 1/20 | 0.45 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.45 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.45 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.45 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13804130 | 0.89 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL13804201 | 0.89 | DPP4 (0.50) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL13804236 | 0.87 | ALDH1A1 (0.44) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL13804342 | 0.83 | GPR119 (0.52) | MMP13ALDH1A1GPR119MEN1KMT2A | |
| SCHEMBL4393991 | 0.83 | MMP13 (0.55) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL13987077 | 0.83 | ALDH1A1 (0.47) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL13804207 | 0.81 | STS (0.52) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL2213566 | 0.81 | GPR119 (0.45) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL7417677 | 0.81 | MMP13 (0.53) | MMP13ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL8181931 | 0.80 | ALDH1A1 (0.56) | MMP13ALDH1A1NPC1MAPTMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-7470679-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-20 | — | — | US | disclosed |
| US-7384931-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-20070259850-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | 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 (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-20070259850-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | CALCR, BDKRB2, CALCRL | MMP13 1049/4885ALDH1A1 3451/4885NPC1 1431/4885 |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | CALCR, BDKRB2, CALCRL | MMP13 1049/4885ALDH1A1 3451/4885NPC1 1431/4885 |
“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.