Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | FASN | P49327 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1997224 | 1.00 | PTGS2 (0.52) | PTGS2ADAMTS4CYP1A2GAACYP2C9 | |
| SCHEMBL755703 | 0.88 | ALDH1A1 (0.43) | PTGS2ADAMTS4ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL755702 | 0.88 | ALDH1A1 (0.43) | PTGS2ADAMTS4ALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8226909 | 0.86 | ALDH1A1 (0.42) | PTGS2ADAMTS4ALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL32662705 | 0.86 | ALDH1A1 (0.42) | PTGS2ADAMTS4ALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8226911 | 0.86 | ALDH1A1 (0.42) | PTGS2ADAMTS4ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10351875 | 0.84 | PTGS2 (0.43) | PTGS2ADAMTS4CYP1A2GAACYP2C9 | |
| SCHEMBL14969086 | 0.82 | ADAMTS4 (0.59) | PTGS2ADAMTS4CYP1A2GAACYP2C9 | |
| SCHEMBL8605929 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL31370844 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTLMNA |
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 |