Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | C1S | P09871 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL30568687 | 0.77 | ACHE (0.40) | ALDH1A1TSHRTDP1 | |
| SCHEMBL25219985 | 0.74 | ALDH1A1 (0.35) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL14653011 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRTPMTNOS3NOS1 | |
| SCHEMBL11318825 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRTPMTNOS3NOS1 | |
| SCHEMBL1305677 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TSHRTPMTPRSS1PRSS2 | |
| Bromide SCHEMBL29193903 | 0.70 | ALDH1A1 (0.36) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL28231579 | 0.70 | ALDH1A1 (0.47) | ALDH1A1TSHRTPMTPRSS1PRSS2 | |
| SCHEMBL12584883 | 0.67 | ALDH1A1 (0.38) | ALDH1A1TSHRTPMTNOS3NOS1 | |
| SCHEMBL1223821 | 0.67 | ALDH1A1 (0.38) | ALDH1A1TSHRTPMTNOS3NOS1 | |
| SCHEMBL19376983 | 0.65 | ALDH1A1 (0.57) | ALDH1A1TSHRTPMTPRSS1PRSS2 |
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-111518145-A | Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof | 荆楚理工学院 | 2020-08-11 | — | — | CN | claimed |
| CN-111518145-A | Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof | 荆楚理工学院 | 2020-08-11 | — | — | CN | disclosed |