Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7823140 | 1.00 | CYP1A2 (0.55) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL19230478 | 0.82 | CYP1A2 (0.60) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL5203798 | 0.79 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL19776318 | 0.79 | CYP1A2 (0.72) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL2100657 | 0.76 | TSHR (0.55) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL6671674 | 0.76 | CYP1A2 (0.52) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL27445177 | 0.76 | TSHR (0.47) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL1509647 | 0.76 | ALDH1A1 (0.47) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL31217268 | 0.74 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRCYP3A4RECQL | |
| Hydrochloric Acid SCHEMBL3546811 | 0.74 | ALDH1A1 (0.46) | CYP1A2ALDH1A1TSHRCYP3A4RECQL |
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-112119075-B | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-03-12 | — | — | CN | disclosed |