Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6047645 | 0.81 | HSD11B1 (0.38) | HSD11B1 | |
| SCHEMBL6047589 | 0.80 | PTGS1 (0.35) | KMT2AMEN1NPC1RAB9ANFKB1 | |
| SCHEMBL5887404 | 0.77 | L3MBTL1 (0.40) | KMT2AMEN1MAPTHPGDALDH1A1 | |
| SCHEMBL1045000 | 0.73 | CYP2A6 (0.65) | CYP2A6KMT2APOLBHSD11B1MEN1 | |
| SCHEMBL5887582 | 0.69 | TSHR (0.43) | KMT2APOLBMEN1MAPTHPGD | |
| SCHEMBL5887426 | 0.66 | MEN1 (0.34) | CYP2A6KMT2APOLBMEN1HPGD | |
| Bicarbonate SCHEMBL27450693 | 0.66 | CYP2A6 (0.59) | CYP2A6KMT2AMEN1NPC1RAB9A | |
| SCHEMBL11260432 | 0.65 | HSD11B1 (0.47) | CYP2A6KMT2AHSD11B1MEN1MAPT | |
| SCHEMBL1047922 | 0.63 | CNR2 (0.50) | CYP2A6 | |
| SCHEMBL6047627 | 0.62 | CYP2A6 (0.39) | CYP2A6KMT2APOLBHSD11B1MAPT |
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 | claimed |