Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.45 |
| ▸ | IGF1R | P08069 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 0.45 |
| ▸ | PLK1 | P53350 | 2/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL11132639 | 0.81 | NOS1 (0.52) | CA9HSD17B10TSHRNOS1NOS3 | |
| SCHEMBL1285628 | 0.78 | NOS1 (0.41) | HSD17B10TSHRNOS1NOS3NOS2 | |
| SCHEMBL15759798 | 0.78 | NOS1 (0.44) | HSD17B10TSHRNOS1NOS3NOS2 | |
| SCHEMBL520456 | 0.78 | NOS1 (0.41) | ALDH1A1HPGDCASP1CASP7CA9 | |
| SCHEMBL1285298 | 0.78 | NOS1 (0.41) | HSD17B10TSHRNOS1NOS3NOS2 | |
| SCHEMBL1700932 | 0.77 | NOS1 (0.38) | TSHRNOS1NOS3NOS2SYK | |
| SCHEMBL29957729 | 0.77 | NOS1 (0.38) | TSHRNOS1NOS3NOS2SYK | |
| SCHEMBL1286048 | 0.77 | TTR (0.41) | ALDH1A1HPGDHSD17B10NOS1NOS3 | |
| SCHEMBL1285709 | 0.77 | CREBBP (0.41) | ALDH1A1NOS1NOS3NOS2SYK | |
| Hydrochloric Acid SCHEMBL1285729 | 0.76 | SYK (0.39) | TSHRNOS1NOS3NOS2SYK |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| EP-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-8952014-B2 | Pyrimidine derivatives which are CGRP—antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-10 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| US-20120088755-A1 | Novel Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-12 | — | — | US | disclosed |
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | 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 (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-20120088755-A1 | Novel Compounds | SLC26A4, F12, SLCO1B3 | KDR 4125/4885NUAK1 2484/4885IGF1R 4012/4885 |
“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.