Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.44 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | EDNRB | P24530 | 2/20 | 0.42 |
| ▸ | EDNRA | P25101 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8724866 | 1.00 | TACR1 (0.45) | TACR1BACE1BACE2ABCB1ATM | |
| SCHEMBL16907005 | 0.93 | EDNRB (0.47) | TACR1ATML3MBTL1ALDH1A1EDNRB | |
| SCHEMBL7436226 | 0.93 | EDNRB (0.47) | TACR1ATML3MBTL1ALDH1A1EDNRB | |
| SCHEMBL7436229 | 0.93 | EDNRB (0.47) | TACR1ATML3MBTL1ALDH1A1EDNRB | |
| SCHEMBL8726260 | 0.91 | NPY5R (0.46) | EDNRBEDNRA | |
| SCHEMBL8726256 | 0.91 | NPY5R (0.46) | EDNRBEDNRA | |
| SCHEMBL8721883 | 0.89 | ESR1 (0.47) | EDNRBEDNRAKMT2A | |
| SCHEMBL8490486 | 0.89 | SLC7A5 (0.40) | BACE1BACE2ABCB1EDNRBEDNRA | |
| SCHEMBL8490484 | 0.89 | SLC7A5 (0.40) | BACE1BACE2ABCB1EDNRBEDNRA | |
| SCHEMBL8721886 | 0.89 | ESR1 (0.47) | EDNRBEDNRAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5780498-A | PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS | CIBA-GEIGY JAPAN LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0728145-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | Ciba-Geigy Japan Limited (JP) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995012611-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | JAPAT LTD. (CH) | 1995-05-11 | — | — | WO | disclosed |