Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.45 |
| ▸ | TYR | P14679 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.44 |
| ▸ | BCL2 | P10415 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | BID | P55957 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804713 | 0.86 | CNR1 (0.55) | CNR1CNR2TP53CYP3A4PTGS2 | |
| SCHEMBL1122765 | 0.83 | ALOX5 (0.51) | LIPGALOX5TYRMEN1TP53 | |
| SCHEMBL11683643 | 0.83 | CNR1 (0.49) | CNR1CNR2HTTBCL2L1BCL2 | |
| SCHEMBL3819520 | 0.82 | RARB (0.46) | CNR1CNR2MEN1TP53CYP3A4 | |
| SCHEMBL15314346 | 0.82 | RARB (0.46) | CNR1CNR2MEN1TP53CYP3A4 | |
| SCHEMBL8772404 | 0.81 | TYR (0.49) | CNR1CNR2ALOX5TYRMEN1 | |
| SCHEMBL10454636 | 0.80 | HTR2A (0.55) | LIPGBCL2L1BIDMCL1BAK1 | |
| SCHEMBL22471644 | 0.80 | HTR2A (0.55) | LIPGBCL2L1BIDMCL1BAK1 | |
| SCHEMBL27342279 | 0.80 | HTR2A (0.55) | LIPGBCL2L1BIDMCL1BAK1 | |
| SCHEMBL10988396 | 0.79 | BID (0.55) | CNR1CNR2LIPGALOX5TYR |
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-8557812-B2 | Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2013-10-15 | — | — | US | disclosed |