Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 4/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887108 | 0.76 | ALKBH3 (0.43) | ALKBH3AHRHSD11B1TP53PTGS2 | |
| SCHEMBL5887411 | 0.71 | AHR (0.41) | ALKBH3AHRHSD11B1TP53CRHR1 | |
| SCHEMBL5887503 | 0.70 | ALKBH3 (0.40) | ALKBH3AHRAKR1C3AKR1C2PTGS2 | |
| SCHEMBL5887168 | 0.68 | RAD51 (0.39) | PTGS2SLC6A3 | |
| SCHEMBL4447113 | 0.67 | AHR (0.65) | AHRHSD11B1TP53 | |
| SCHEMBL29456490 | 0.62 | AHR (0.69) | AHRHSD11B1TP53 | |
| SCHEMBL5887035 | 0.61 | ALKBH3 (0.43) | ALKBH3AHRPTGS2PGR | |
| SCHEMBL5887629 | 0.60 | ALKBH3 (0.46) | ALKBH3AHRPTGS2SLC6A3PGR | |
| SCHEMBL1045006 | 0.59 | AHR (0.57) | AHRHSD11B1TP53 | |
| SCHEMBL22730 | 0.58 | — | — |
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-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | disclosed |