Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28581938 | 0.92 | NR1I2 (0.44) | NR1I2NPC1RAB9ACHRNA7MAPT | |
| SCHEMBL191887 | 0.76 | TLR9 (0.44) | L3MBTL1PKM | |
| SCHEMBL8496732 | 0.75 | CHRNA7 (0.42) | NR1I2NPC1RAB9ACHRNA7PKM | |
| SCHEMBL10766405 | 0.75 | MAPT (0.37) | NR1I2L3MBTL1CHRNA7PKMMAPT | |
| SCHEMBL2371421 | 0.75 | KMT2A (0.51) | L3MBTL1RECQLPOLBMAPTALDH1A1 | |
| SCHEMBL11908454 | 0.74 | MEN1 (0.53) | L3MBTL1RAB9APOLBMAPTALDH1A1 | |
| SCHEMBL31231930 | 0.72 | KMT2A (0.49) | CA12CA1CA9POLBMAPT | |
| SCHEMBL606359 | 0.72 | KMT2A (0.49) | CA12CA1CA9POLBMAPT | |
| SCHEMBL5605046 | 0.72 | HPGD (0.46) | NR1I2L3MBTL1RECQLNPC1RAB9A | |
| SCHEMBL3668110 | 0.71 | HPGD (0.42) | NR1I2L3MBTL1CHRNA7MAPTALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115583902-B | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2024-02-13 | — | — | CN | disclosed |
| CN-115583902-A | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2023-01-10 | — | — | CN | disclosed |
| CN-112500425-B | 3-thiopyrrole compound and synthesis method thereof | 太原理工大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-112358431-B | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-112500425-A | 3-thiopyrrole compound and synthesis method thereof | 太原理工大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-112358431-A | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2021-02-12 | — | — | CN | disclosed |
| CN-103333092-B | Synthesis method of 1-thiophenyl-2-isonaphthol compound | UNIV WENZHOU | 2014-12-10 | — | — | CN | disclosed |
| CN-103333092-A | Synthesis method of 1-thiophenyl-2-isonaphthol compound | UNIV WENZHOU | 2013-10-02 | — | — | CN | disclosed |
| CN-1119856-A | Hiv reverse transcriptase inhibitors | MERCK & CO INC (US) | 1996-04-03 | — | — | CN | disclosed |