Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7499058 | 1.00 | NPSR1 (0.59) | NPSR1CYP19A1MAOAMAOBNR1H4 | |
| SCHEMBL7911109 | 0.83 | NR1H4 (0.47) | NR1H4PKMNPC1ESR1TTR | |
| SCHEMBL2330043 | 0.83 | NR1H4 (0.47) | NR1H4PKMNPC1ESR1TTR | |
| SCHEMBL18843946 | 0.83 | MAOA (0.51) | NPSR1MAOAMAOBNR1H4NPC1 | |
| SCHEMBL1232502 | 0.83 | NPSR1 (0.65) | NPSR1CYP19A1MAOAMAOBNR1H4 | |
| SCHEMBL1232501 | 0.83 | NPSR1 (0.65) | NPSR1CYP19A1MAOAMAOBNR1H4 | |
| SCHEMBL3345694 | 0.82 | HSD17B3 (0.61) | NPSR1MAOAMAOBNR1H4PKM | |
| SCHEMBL4623088 | 0.82 | MEN1 (0.51) | MAOAMAOBNR1H4NPC1MAPT | |
| SCHEMBL2209337 | 0.82 | HSD17B3 (0.61) | NPSR1MAOAMAOBNR1H4PKM | |
| SCHEMBL4623086 | 0.82 | MEN1 (0.51) | MAOAMAOBNR1H4NPC1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459231-A | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2012-05-16 | — | — | CN | disclosed |
| EP-0894084-B1 | CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2002-06-26 | — | — | EP | disclosed |
| EP-0894084-A1 | CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5852210-A | Cinnamic acid derivatives | G. D. SEARLE & CO. (US) | 1998-12-22 | — | — | US | disclosed |
| WO-1997036860-A1 | CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | disclosed |