Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | EIF4E | P06730 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8524724 | 0.80 | AHR (0.47) | ALDH1A1PTGER1KDM4EAKR1C2NPC1 | |
| SCHEMBL5924817 | 0.79 | MCL1 (0.69) | ALDH1A1TP53PTGER1MCL1POLB | |
| SCHEMBL4881566 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TP53PTGER1MCL1POLB | |
| SCHEMBL2771204 | 0.74 | ALDH1A1 (0.68) | ALDH1A1TP53PTGER1MCL1POLB | |
| SCHEMBL122520 | 0.71 | ACMSD (0.63) | ALDH1A1TP53PTGER1MCL1POLB | |
| SCHEMBL6823830 | 0.71 | PTGS2 (0.42) | ALDH1A1POLBKMT2AMEN1KDM4E | |
| SCHEMBL787118 | 0.71 | AKR1C2 (0.70) | ALDH1A1TP53MCL1GRIK1GRIA1 | |
| SCHEMBL15331304 | 0.71 | EIF4E (0.55) | ALDH1A1TP53PTGER1MCL1POLB | |
| SCHEMBL753675 | 0.70 | ALDH1A1 (0.48) | ALDH1A1POLBKMT2ATDP1KDM4E | |
| SCHEMBL20956991 | 0.70 | ESR2 (0.42) | ALDH1A1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4778954-B2 | — | — | 2011-09-21 | — | — | JP | claimed |
| JP-2007529527-A | — | — | 2007-10-25 | — | — | JP | claimed |
| EP-1725537-A1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-29 | — | — | EP | claimed |
| WO-2005090315-A1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2005-09-29 | — | — | WO | claimed |