Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | RHEB | Q15382 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28404833 | 0.99 | CYP17A1 (0.47) | CYP17A1NAPRTLOXL2GSK3BRHEB | |
| Hydrochloric Acid SCHEMBL29279098 | 0.87 | NAPRT (0.41) | CYP17A1NAPRTLOXL2GSK3BKDM5A | |
| SCHEMBL28243748 | 0.81 | NOTUM (0.48) | CYP17A1GSK3BCYP3A4CYP19A1CYP11B1 | |
| Bromide SCHEMBL30008835 | 0.80 | FYN (0.47) | CYP17A1GSK3BCYP3A4CYP19A1CYP11B1 | |
| SCHEMBL28133235 | 0.78 | CYP17A1 (0.42) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL18906031 | 0.77 | HDAC1 (0.65) | CYP17A1NAPRTCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL28477394 | 0.77 | CYP17A1 (0.41) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| Terephthalic Acid SCHEMBL17360384 | 0.77 | NAPRT (0.76) | NAPRTGSK3BCA12CA1CA2 | |
| SCHEMBL28493105 | 0.75 | LOXL2 (0.59) | NAPRTLOXL2GSK3BHDAC1HDAC6 | |
| SCHEMBL205344 | 0.75 | NAPRT (0.73) | NAPRTGSK3BCA12CA1CA2 |
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-108658849-B | Cr (III) complex and preparation method and application thereof | 太原师范学院 | 2021-08-13 | — | — | CN | claimed |
| CN-107522722-B | Double-insertion Zn (II) complex for inkless and erasable printing and preparation method thereof | 淮阴师范学院 | 2020-12-01 | — | — | CN | claimed |
| CN-107522722-B | Double-insertion Zn (II) complex for inkless and erasable printing and preparation method thereof | 淮阴师范学院 | 2020-12-01 | — | — | CN | disclosed |