Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887049 | 0.80 | ENPP1 (0.33) | ARHSD11B1KDM4EALDH1A1HPGD | |
| SCHEMBL5887562 | 0.74 | GPR84 (0.36) | CYP1A2CYP2A6KDM4EALDH1A1HPGD | |
| SCHEMBL6047621 | 0.69 | HSD17B1 (0.37) | HSD17B1HSD17B2BACE1KDM4ECYP11B1 | |
| SCHEMBL5887363 | 0.69 | KDM4E (0.35) | KDM4EALDH1A1HPGD | |
| SCHEMBL7834790 | 0.68 | CYP1A2 (0.55) | HSD17B1HSD17B2BACE1HSD11B1CYP1A2 | |
| SCHEMBL5887681 | 0.66 | IDO1 (0.37) | — | |
| SCHEMBL28527271 | 0.63 | CYP1A2 (0.43) | HSD17B1HSD17B2BACE1HSD11B1CYP1A2 | |
| SCHEMBL28838150 | 0.61 | MEN1 (0.46) | ARHSD11B1CYP1A2CYP2A6KDM4E | |
| SCHEMBL5887354 | 0.61 | SMN1; SMN2 (0.38) | ALDH1A1HPGD | |
| SCHEMBL11073716 | 0.61 | BACE1 (0.47) | HSD17B1HSD17B2BACE1HSD11B1CYP1A2 |
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 |