Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28986929 | 0.78 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHR | |
| SCHEMBL624569 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| SCHEMBL381091 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL2477535 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| SCHEMBL10748236 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Bromide SCHEMBL7610464 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Water SCHEMBL3961567 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Iodide SCHEMBL3348496 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Bromide SCHEMBL9777444 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Methane SCHEMBL28941659 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | 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 | claimed |
| CN-111518145-B | Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof | 荆楚理工学院 | 2023-06-20 | — | — | CN | disclosed |
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | disclosed |
| 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 |