Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL16952933 | 0.84 | GAA (0.34) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL16952554 | 0.84 | NPC1 (0.31) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL16950829 | 0.83 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL16955064 | 0.80 | TSHR (0.41) | NPC1ALDH1A1TSHRGAAPOLB | |
| SCHEMBL16957145 | 0.78 | TSHR (0.35) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL16960493 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9AALDH1A1TSHRPOLB | |
| SCHEMBL20436373 | 0.77 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL16957510 | 0.77 | TSHR (0.34) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL5195730 | 0.77 | MAPT (0.45) | NPC1RAB9AALDH1A1TSHRMAPT | |
| SCHEMBL16956061 | 0.77 | AR (0.36) | ALDH1A1TSHRGAAMAPTKDM4E |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |