Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16486131 | 0.82 | ALDH1A1 (0.52) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL10167612 | 0.79 | ALDH1A1 (0.55) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL1395293 | 0.76 | CA12 (0.47) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL26602180 | 0.75 | ALDH1A1 (0.49) | ALDH1A1GAATSHRCA12CA1 | |
| SCHEMBL28076211 | 0.75 | LMNA (0.47) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9254931 | 0.75 | ALDH1A1 (0.48) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL28076210 | 0.74 | CA12 (0.43) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL13035566 | 0.74 | LMNA (0.55) | ALDH1A1LMNASMN1; SMN2CA12CA1 | |
| SCHEMBL31443319 | 0.74 | CA1 (0.45) | ALDH1A1GAACYP3A4TSHRCYP2C9 | |
| SCHEMBL18131267 | 0.74 | CA12 (0.45) | ALDH1A1GAACYP3A4TSHRCYP2C9 |
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-106187882-A | Prepare method and the synthetic intermediate thereof of compound | 克洛维斯肿瘤学意大利公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-104193676-B | Prepare method and the synthetic intermediate thereof of compound | 克洛维斯肿瘤学意大利公司 | 2016-08-17 | — | — | CN | disclosed |