Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2957008 | 0.87 | TSHR (0.58) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL14734958 | 0.84 | CYP2D6 (0.54) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL28611554 | 0.83 | NPFFR1 (0.58) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL4023771 | 0.82 | OPRL1 (0.59) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL28690017 | 0.81 | TSHR (0.50) | TSHRCHRM2CHRM3CYP2D6CYP3A4 | |
| SCHEMBL25340895 | 0.81 | ALDH1A1 (0.51) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL12589184 | 0.81 | OPRL1 (0.58) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL6783749 | 0.81 | OPRL1 (0.58) | TSHROPRL1CHRM2CHRM3CYP2D6 | |
| SCHEMBL20571017 | 0.80 | TSHR (0.52) | TSHRCHRM2CHRM3CYP2D6CYP3A4 | |
| SCHEMBL4123527 | 0.80 | SIGMAR1 (0.58) | OPRL1CYP2D6CYP3A4ALDH1A1POLB |
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-117157288-A | Pyridine derivative, preparation method and application thereof | 成都苑东生物制药股份有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-109563043-B | Substituted pyridines as inhibitors of DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-05-31 | — | — | CN | disclosed |