Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | ACP3 | P15309 | 2/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | GPR139 | Q6DWJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4445388 | 0.86 | CES2 (0.55) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL2165615 | 0.83 | AKR1C3 (0.43) | CES2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL1760202 | 0.82 | AKR1C3 (0.66) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL1993610 | 0.82 | AKR1C3 (0.66) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| Cadaverine Tartrate SCHEMBL8448124 | 0.81 | IDO1 (0.52) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL14983791 | 0.81 | CES2 (0.53) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL27665713 | 0.81 | SLC1A3 (0.48) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL5159938 | 0.80 | CES2 (0.69) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL7436009 | 0.80 | CES2 (0.55) | CES2ACP3PNMTAKR1C3AKR1C2 | |
| SCHEMBL30213812 | 0.80 | CES2 (0.69) | CES2ACP3PNMTAKR1C3AKR1C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7985747-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-26 | — | — | US | disclosed |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-7700598-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-20 | — | — | US | disclosed |
| US-20090176770-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-09 | — | — | 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-20090176770-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | CES2 3248/4885ACP3 2459/4885PNMT 2172/4885 |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | CES2 3248/4885ACP3 2459/4885PNMT 2172/4885 |
“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.