Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | GAPDH | P04406 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27668661 | 0.86 | AHR (0.35) | AHRBLMMEN1KMT2APBRM1 | |
| SCHEMBL27699002 | 0.79 | TGM2 (0.33) | TGM2CES1ERN1 | |
| SCHEMBL27590550 | 0.79 | MAOB (0.33) | KMT2AMAPT | |
| SCHEMBL27539125 | 0.79 | — | — | |
| SCHEMBL27859196 | 0.79 | BRD4 (0.44) | MIFTDP1CA2 | |
| SCHEMBL27590615 | 0.79 | AHR (0.35) | AHRTGM2CES1TDP1ERN1 | |
| SCHEMBL27590553 | 0.79 | BRD4 (0.36) | BLMMEN1GAPDHPOLBHSPA1A | |
| SCHEMBL27590514 | 0.76 | ALDH1A1 (0.37) | HSPA1APTPN7ERN1CA2MAPT | |
| SCHEMBL27539115 | 0.74 | ALDH1A1 (0.43) | MEN1GAPDHPOLBHSPA1APTPN7 | |
| SCHEMBL18885246 | 0.74 | PARP1 (0.42) | MEN1KMT2ACA2LMNAMAPT |
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-100558428-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-101242819-A | Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof | AVENTIS PHARMA INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-1917921-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1178911-C | pyrrolidine and piperidine derivatives and their use for the treatment of neurodegenerative diseases | - | 2004-12-08 | — | — | CN | disclosed |
| CN-1425002-A | Pyrrolidine and piperidine derivatives and their use for treatment of neurodegenerative disorders | HOFFMANN LA ROCHE (CH) | 2003-06-18 | — | — | CN | disclosed |