Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8330289 | 1.00 | CYP1A2 (0.58) | CYP1A2TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL3240297 | 0.85 | TSHR (0.65) | CYP1A2TSHRALDH1A1MAPTCYP2D6 | |
| SCHEMBL14785027 | 0.84 | TSHR (0.59) | CYP1A2TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL8330990 | 0.81 | ALDH1A1 (0.62) | CYP1A2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4566930 | 0.80 | TSHR (0.54) | CYP1A2TSHRALDH1A1MAPTMAPK1 | |
| SCHEMBL14060334 | 0.80 | TSHR (0.57) | CYP1A2TSHRALDH1A1MAPTMEN1 | |
| SCHEMBL1026610 | 0.79 | ALDH1A1 (0.60) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL1026611 | 0.79 | ALDH1A1 (0.60) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL296300 | 0.79 | TSHR (0.61) | CYP1A2TSHRALDH1A1TP53CYP2D6 | |
| SCHEMBL14873550 | 0.79 | TSHR (0.61) | CYP1A2TSHRALDH1A1MAPTCYP2D6 |
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-115215848-B | Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2024-04-19 | — | — | CN | disclosed |