Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8345590 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CES2CES1MAPTHTT | |
| SCHEMBL8850395 | 0.65 | ALDH1A1 (0.58) | ALDH1A1CES2CES1MAPTHTT | |
| SCHEMBL31103641 | 0.65 | MEN1 (0.76) | ALDH1A1CES2CES1MAPTSMN1; SMN2 | |
| SCHEMBL1572442 | 0.65 | MEN1 (0.76) | ALDH1A1CES2CES1MAPTSMN1; SMN2 | |
| SCHEMBL6175481 | 0.64 | CES2 (0.64) | ALDH1A1CES2CES1MAPTTP53 | |
| SCHEMBL27858189 | 0.64 | MEN1 (0.74) | ALDH1A1CES2CES1MAPTSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27704150 | 0.64 | MEN1 (0.74) | ALDH1A1CES2CES1MAPTSMN1; SMN2 | |
| Methane SCHEMBL28043489 | 0.64 | MEN1 (0.74) | ALDH1A1CES2CES1MAPTSMN1; SMN2 | |
| SCHEMBL29433469 | 0.64 | CES2 (0.64) | ALDH1A1CES2CES1MAPTTP53 | |
| Fluoride SCHEMBL28307367 | 0.64 | MEN1 (0.74) | ALDH1A1CES2CES1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6156700-A | 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents | AMERICAN CYANMID COMPANY (US) | 2000-12-05 | — | — | US | disclosed |