Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL4608385 | 0.82 | TSHR (0.53) | TSHRNAPRTTDP1CYP2C19ALDH1A1 | |
| Pyridine SCHEMBL27758197 | 0.81 | TDP1 (0.45) | TSHRNAPRTTDP1CHRNB2CHRNA4 | |
| Pyridine SCHEMBL27955391 | 0.81 | TDP1 (0.69) | TSHRNAPRTTDP1CHRNB2CHRNA4 | |
| Pyridine SCHEMBL17504474 | 0.81 | — | — | |
| Pyridine SCHEMBL1063058 | 0.81 | — | — | |
| Benzene SCHEMBL28536689 | 0.80 | KDM4E (0.38) | TSHRTAAR1MAPTMEN1KMT2A | |
| Pyridine SCHEMBL29244254 | 0.80 | TSHR (0.50) | TSHRNAPRTTDP1CYP2C19CYP2A6 | |
| Pyridine SCHEMBL11412722 | 0.78 | TSHR (0.64) | TSHRNAPRTTDP1CYP2C19 | |
| Pyridine SCHEMBL6014218 | 0.78 | TSHR (0.64) | TSHRNAPRTTDP1CYP2C19 | |
| Pyridine SCHEMBL27871778 | 0.78 | TDP1 (0.64) | TSHRNAPRTTDP1CHRNB2CHRNA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957347-A | Preparation method of bipyridyl copper-zinc heterobinuclear macrocyclic complex | 武汉轻工大学 | 2022-08-30 | — | — | CN | disclosed |