Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4899294 | 0.79 | CYP3A4 (0.45) | ALDH1A1LMNACYP3A4TDP1TSHR | |
| SCHEMBL2034712 | 0.78 | TDP1 (0.36) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL10580325 | 0.78 | CYP3A4 (0.36) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL24347511 | 0.75 | ALDH1A1 (0.34) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL25199901 | 0.75 | ALDH1A1 (0.34) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL8029797 | 0.75 | CYP3A4 (0.41) | CYP3A4TDP1TSHR | |
| SCHEMBL11237324 | 0.72 | ALDH1A1 (0.33) | ALDH1A1HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL9619418 | 0.71 | CYP3A4 (0.38) | CYP3A4TDP1 | |
| SCHEMBL20836050 | 0.71 | TSHR (0.36) | ALDH1A1HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL10705336 | 0.69 | CYP3A4 (0.45) | ALDH1A1HPGDLMNACYP3A4TDP1 |
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 3 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-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 |
| 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 |