Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 3/20 | 0.36 |
| ▸ | GSR | P00390 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28450709 | 0.93 | POLB (0.41) | ALDH1A1MAPTPOLBCYP3A4CYP2D6 | |
| SCHEMBL28470303 | 0.90 | TXNRD1 (0.45) | ALDH1A1MAPTTXNRD1GSRSMN1; SMN2 | |
| SCHEMBL27913490 | 0.84 | TXNRD1 (0.39) | ALDH1A1MAPTTXNRD1GSRCHRNB2 | |
| SCHEMBL28448537 | 0.83 | TXNRD1 (0.43) | ALDH1A1MAPTTXNRD1GSRSMN1; SMN2 | |
| SCHEMBL28448533 | 0.82 | FGFR4 (0.39) | ALDH1A1MAPTPOLBTXNRD1GSR | |
| SCHEMBL28451066 | 0.82 | MAPT (0.41) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28472520 | 0.82 | MAPT (0.40) | MAPTPOLBTXNRD1GSRTDP1 | |
| SCHEMBL28464824 | 0.81 | DCTPP1 (0.42) | ALDH1A1MAPTPOLBCYP3A4CYP2D6 | |
| SCHEMBL27931558 | 0.79 | CHRNB2 (0.40) | ALDH1A1MAPTTXNRD1GSRCHRNB2 | |
| SCHEMBL28458302 | 0.77 | MAPT (0.41) | ALDH1A1MAPTPOLBCYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111662282-B | Aza-and pyridine compounds and intermediates thereof | 湖南化工研究院有限公司 | 2021-07-06 | — | — | CN | claimed |
| CN-111662282-A | Aza-and pyridine compounds and intermediates thereof | 湖南化工研究院有限公司 | 2020-09-15 | — | — | CN | claimed |
| CN-111662282-B | Aza-and pyridine compounds and intermediates thereof | 湖南化工研究院有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-111662282-A | Aza-and pyridine compounds and intermediates thereof | 湖南化工研究院有限公司 | 2020-09-15 | — | — | CN | disclosed |