Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 7/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.33 |
| ▸ | GAA | P10253 | 6/20 | 0.33 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 5/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10845741 | 0.99 | CYP2C19 (0.36) | CYP2C19MEN1KMT2AGAANPC1 | |
| SCHEMBL497463 | 0.99 | CYP2C19 (0.36) | CYP2C19MEN1KMT2AGAANPC1 | |
| SCHEMBL11208659 | 0.79 | PPARG (0.40) | KMT2AGAANPC1ITGB1ITGA4 | |
| SCHEMBL11208660 | 0.79 | PPARG (0.40) | KMT2AGAANPC1ITGB1ITGA4 | |
| SCHEMBL4519604 | 0.77 | MME (0.36) | — | |
| SCHEMBL14547050 | 0.76 | GAA (0.38) | MEN1KMT2AGAANPC1HSD17B10 | |
| SCHEMBL9956549 | 0.75 | ALDH1A1 (0.33) | CYP2C19KMT2ANPC1HSD17B10MAPT | |
| SCHEMBL9956545 | 0.75 | ALDH1A1 (0.33) | CYP2C19KMT2ANPC1HSD17B10MAPT | |
| SCHEMBL7607068 | 0.74 | MME (0.48) | — | |
| Benzene SCHEMBL27792631 | 0.74 | CPB2 (0.35) | SMN1; SMN2ALOX15 |
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-102596915-B | The synthetic method of 2-thiolhistidine and analogue | TETRAHEDRON (FR) | 2016-04-20 | — | — | CN | claimed |
| CN-102596915-B | The synthetic method of 2-thiolhistidine and analogue | TETRAHEDRON (FR) | 2016-04-20 | — | — | CN | disclosed |