Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL2844130 | 0.78 | EPHX2 (0.43) | ALDH1A1POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1027519 | 0.75 | TSHR (0.83) | ALDH1A1TSHRMAPK1CYP2C9CYP1A2 | |
| SCHEMBL28246978 | 0.74 | KEAP1 (0.54) | ALDH1A1NPSR1KEAP1KDM4ELMNA | |
| SCHEMBL6566997 | 0.73 | KMT2A (0.79) | ALDH1A1TSHRKDM4ELMNAPKM | |
| SCHEMBL6566282 | 0.73 | ALDH1A1 (0.56) | ALDH1A1NPSR1TSHRKEAP1POLB | |
| SCHEMBL6050970 | 0.73 | EPHX2 (0.43) | ALDH1A1TSHRSMN1; SMN2HTTKMT2A | |
| SCHEMBL3885557 | 0.72 | MAPT (0.55) | ALDH1A1NPSR1TSHRKDM4ELMNA | |
| SCHEMBL13118303 | 0.71 | NPC1 (0.60) | ALDH1A1MAPK1KDM4ELMNACYP1A2 | |
| SCHEMBL1873887 | 0.70 | PRMT1 (0.77) | ALDH1A1TSHRPOLBLMNASMN1; SMN2 | |
| SCHEMBL2755867 | 0.69 | EPHX2 (0.58) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1443041-A1 | 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |