Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960504 | 0.87 | CYP1A2 (0.44) | CYP1A2IDO1KCNH2GRIN2BPOLB | |
| SCHEMBL19838624 | 0.87 | CYP1A2 (0.44) | CYP1A2IDO1KCNH2GRIN2BPOLB | |
| SCHEMBL30618514 | 0.82 | CYP1A2 (0.47) | CYP1A2IDO1NOTUMHSD17B1CYP11B1 | |
| SCHEMBL3348647 | 0.82 | CYP1A2 (0.47) | CYP1A2IDO1NOTUMHSD17B1CYP11B1 | |
| SCHEMBL29960742 | 0.81 | FFAR1 (0.46) | — | |
| SCHEMBL5468751 | 0.80 | ALDH1A1 (0.49) | CYP1A2TSHRCYP11B1CYP11B2 | |
| SCHEMBL19984866 | 0.79 | CYP1A2 (0.49) | CYP1A2IDO1KCNH2GRIN2BPOLB | |
| SCHEMBL9181002 | 0.79 | ALDH1A1 (0.46) | CYP1A2IDO1KCNH2GRIN2BTSHR | |
| SCHEMBL29960371 | 0.79 | POLB (0.45) | CYP1A2IDO1KCNH2POLBSIGMAR1 | |
| SCHEMBL3596582 | 0.79 | POLB (0.45) | CYP1A2IDO1KCNH2POLBSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |