Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21631657 | 1.00 | CXCR1 (0.46) | CXCR1CXCR2ALDH1A1KMT2AMEN1 | |
| SCHEMBL31387781 | 0.83 | TSHR (0.44) | ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2 | |
| SCHEMBL21631612 | 0.83 | TSHR (0.44) | ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2 | |
| SCHEMBL21631387 | 0.81 | RXFP1 (0.53) | CXCR1CXCR2ALDH1A1KDM4EMAPT | |
| SCHEMBL31387660 | 0.81 | RXFP1 (0.53) | CXCR1CXCR2ALDH1A1KDM4EMAPT | |
| SCHEMBL1708569 | 0.75 | MEN1 (0.60) | CXCR2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL20449077 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2 | |
| SCHEMBL12535510 | 0.73 | MEN1 (0.54) | CXCR2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL11576411 | 0.73 | CYP3A4 (0.54) | CXCR2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL12106916 | 0.71 | TSHR (0.46) | ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2 |
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-112513050-B | Heterocyclic compounds which inhibit SHP2 activity | 大鹏药品工业株式会社 | 2024-12-20 | — | — | CN | disclosed |