Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4483753 | 0.84 | SIK1 (0.38) | PLAUALDH1A1HPGDRAD52MAPT | |
| SCHEMBL4502460 | 0.79 | PIN1 (0.40) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1004370 | 0.77 | PLAU (0.57) | PLAUEPHX1ACHEALDH1A1HPGD | |
| SCHEMBL6829957 | 0.76 | ACHE (0.52) | PLAUEPHX1ACHEALDH1A1HPGD | |
| SCHEMBL4527090 | 0.74 | KMT2A (0.48) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL4474152 | 0.74 | RAB9A (0.55) | EPHX1ALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL704024 | 0.73 | ACHE (0.57) | PLAUACHEALDH1A1HPGDRAD52 | |
| SCHEMBL14038245 | 0.73 | ACHE (0.57) | PLAUACHEALDH1A1HPGDRAD52 | |
| SCHEMBL9171117 | 0.73 | MEN1 (0.52) | PLAUACHEALDH1A1HPGDIDO1 | |
| SCHEMBL28259704 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HPGDRAD52CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009094205-A2 | 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2009-07-30 | — | — | WO | disclosed |