Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887149 | 0.86 | AR (0.38) | ARL3MBTL1HSD17B1HSD17B2 | |
| SCHEMBL5887580 | 0.83 | ESR2 (0.35) | PGRSMN1; SMN2HSD17B1HSD17B2 | |
| SCHEMBL5887285 | 0.83 | ALKBH3 (0.44) | ALKBH3KDM4ESMN1; SMN2TDP1NPSR1 | |
| SCHEMBL6047660 | 0.73 | ALDH1A1 (0.40) | SMN1; SMN2TDP1NPSR1NPC1RAB9A | |
| SCHEMBL5887353 | 0.72 | MEN1 (0.35) | ALKBH3KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL5887498 | 0.72 | HSD11B1 (0.34) | ARHPGDCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL5887288 | 0.72 | ALDH1A3 (0.41) | KDM4ESMN1; SMN2ALDH1A1L3MBTL1MAOB | |
| SCHEMBL1047258 | 0.69 | ALKBH3 (0.65) | ALKBH3KDM4ESMN1; SMN2TDP1NPSR1 | |
| SCHEMBL25873212 | 0.69 | ALKBH3 (0.65) | ALKBH3KDM4ESMN1; SMN2TDP1NPSR1 | |
| SCHEMBL5887105 | 0.69 | ESR2 (0.35) | SMN1; SMN2NPC1MAPTTSHRTP53 |
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 |