Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Sulfamethazine SCHEMBL17256221 | 0.81 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL29918086 | 0.81 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL151305 | 0.81 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL3495558 | 0.80 | ALDH1A1 (0.97) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL1442165 | 0.80 | ALDH1A1 (0.97) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL28567572 | 0.80 | ALDH1A1 (0.97) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL28028309 | 0.79 | ALDH1A1 (0.94) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| SCHEMBL12903578 | 0.78 | SMN1; SMN2 (0.76) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| SCHEMBL3505117 | 0.78 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA | |
| Sulfamethazine SCHEMBL11708760 | 0.78 | ALDH1A1 (0.91) | SMN1; SMN2ALDH1A1CYP3A4TDP1GAA |
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-112375081-B | Pyrrole [2,3-d ] pyrimidine derivative with CDK4, 6 or 9 inhibiting activity and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2022-04-12 | — | — | CN | disclosed |
| CN-112375081-A | Pyrrole [2,3-d ] pyrimidine derivative with CDK4, 6 or 9 inhibiting activity and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2021-02-19 | — | — | CN | disclosed |