Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL775432 | 0.78 | PTGES2 (0.46) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL514170 | 0.78 | ALDH1A1 (0.44) | HSD11B1ACLYKMT2AALDH1A1CNR2 | |
| SCHEMBL2642083 | 0.77 | ADRA2A (0.39) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL13211321 | 0.77 | SLC40A1 (0.44) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL2061390 | 0.75 | ADRA2A (0.38) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL2642086 | 0.75 | ALB (0.44) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL16896856 | 0.73 | PTGS2 (0.39) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL24603708 | 0.72 | CNR2 (0.37) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL131867 | 0.71 | — | — | |
| SCHEMBL5831677 | 0.71 | ALOX5AP (0.48) | HSD11B1ACLYKMT2AALDH1A1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921761-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-07-26 | — | — | US | claimed |