Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL23479987 | 1.00 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1SMN1; SMN2DRD4CXCR3 | |
| SCHEMBL23480485 | 0.88 | HSD11B1 (0.38) | SIGMAR1ALDH1A1DRD4CCR6GFER | |
| SCHEMBL29171007 | 0.88 | HSD11B1 (0.38) | SIGMAR1ALDH1A1DRD4CCR6GFER | |
| SCHEMBL23480099 | 0.88 | HSD11B1 (0.38) | SIGMAR1ALDH1A1DRD4CCR6GFER | |
| SCHEMBL24658852 | 0.84 | ALDH1A1 (0.34) | SIGMAR1ALDH1A1SMN1; SMN2CCR6GFER | |
| SCHEMBL29851363 | 0.81 | CYP3A4 (0.43) | SIGMAR1ALDH1A1SMN1; SMN2DRD4CXCR3 | |
| SCHEMBL23480093 | 0.81 | CYP3A4 (0.43) | SIGMAR1ALDH1A1SMN1; SMN2DRD4CXCR3 | |
| SCHEMBL12749148 | 0.80 | POLB (0.51) | ALDH1A1POLBCYP3A4TSHRHSD17B10 | |
| SCHEMBL29973250 | 0.80 | POLB (0.51) | ALDH1A1POLBCYP3A4TSHRHSD17B10 | |
| SCHEMBL24659060 | 0.80 | HTR4 (0.32) | SIGMAR1ALDH1A1SMN1; SMN2GFERPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929675-B | Adamantane derivatives as focal adhesion kinase inhibitors | 三进制药株式会社 | 2024-02-13 | — | — | CN | disclosed |
| CN-114929675-A | Novel adamantane derivatives as inhibitors of focal adhesion kinase | 三进制药株式会社 | 2022-08-19 | — | — | CN | disclosed |