Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2053579 | 0.85 | ACHE (0.39) | ACHESMN1; SMN2GAANPC1RAB9A | |
| SCHEMBL8129046 | 0.85 | ACHE (0.46) | ACHESMN1; SMN2GAANPC1RAB9A | |
| SCHEMBL434023 | 0.84 | NOTUM (0.35) | ACHESMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1370373 | 0.84 | TSHR (0.39) | ACHESMN1; SMN2GAANPC1RAB9A | |
| SCHEMBL12816458 | 0.82 | NOTUM (0.34) | ACHESMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL2049864 | 0.80 | S1PR2 (0.37) | ACHEMAPTPOLBMEN1KMT2A | |
| SCHEMBL2050049 | 0.80 | MAPK14 (0.34) | ACHEMAPTALDH1A1POLBLMNA | |
| SCHEMBL2050737 | 0.78 | ACHE (0.43) | ACHEGAAMGAMSIMGAM2 | |
| SCHEMBL10742434 | 0.77 | CYP2A6 (0.38) | ACHESMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL6298885 | 0.77 | ALDH1A1 (0.34) | SMN1; SMN2NPC1RAB9AKCNN4ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |