Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5902378 | 1.00 | NAPRT (0.58) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6992571 | 0.98 | NAPRT (0.56) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8603770 | 0.82 | NAPRT (0.66) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL1442885 | 0.80 | NAPRT (0.58) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL794394 | 0.80 | NAPRT (0.69) | NAPRTCYP1A2CYP3A4CYP2C9CHRNA7 | |
| SCHEMBL29701327 | 0.80 | NAPRT (0.69) | NAPRTCYP1A2CYP3A4CYP2C9CHRNA7 | |
| Hydrochloric Acid SCHEMBL16571554 | 0.78 | NAPRT (0.56) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2673018 | 0.78 | NAPRT (0.67) | NAPRTCYP1A2CYP3A4CYP2C9CHRNA7 | |
| SCHEMBL3524143 | 0.77 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL5634650 | 0.77 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1 |
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-118165161-B | Resin containing pyridine-thioacetamide structure, and preparation method and application thereof | 上海稀固科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-118165161-A | Resin containing pyridine-thioacetamide structure, and preparation method and application thereof | 上海稀固科技有限公司 | 2024-06-11 | — | — | CN | disclosed |