Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL185218 | 0.92 | ACACB (0.46) | ACACBHTR2CDHODHMAPTTP53 | |
| SCHEMBL20552334 | 0.83 | TRPV1 (0.44) | ACACBDHODHALDH1A1MAPTTDP1 | |
| SCHEMBL2806045 | 0.82 | ACACB (0.45) | ACACBHTR2CDHODHMAPTSMN1; SMN2 | |
| SCHEMBL2809100 | 0.79 | AKT2 (0.44) | ACACBHTR2CDHODHCYP3A4GCGR | |
| SCHEMBL27853555 | 0.79 | LRRK2 (0.46) | DHODHALDH1A1MAPTMEN1CYP3A4 | |
| SCHEMBL2798108 | 0.78 | TRPV1 (0.40) | ACACBHTR2CDHODHGCGR | |
| Trifluoroacetic Acid SCHEMBL186078 | 0.75 | LRRK2 (0.40) | MAPTMEN1KMT2ASMN1; SMN2LRRK2 | |
| SCHEMBL20552416 | 0.74 | DHODH (0.47) | DHODHALDH1A1MAPTTDP1MEN1 | |
| SCHEMBL17197606 | 0.74 | ACACB (0.41) | ACACBDHODHALDH1A1MAPTTDP1 | |
| SCHEMBL185236 | 0.72 | HPGD (0.47) | ALDH1A1MAPTMEN1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |