Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8100338 | 0.71 | ALDH1A1 (0.43) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL8850395 | 0.66 | ALDH1A1 (0.58) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL1572442 | 0.66 | MEN1 (0.76) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL31103641 | 0.66 | MEN1 (0.76) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL6175481 | 0.65 | CES2 (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL29433469 | 0.65 | CES2 (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| Ammonia Solution, Strong SCHEMBL27704150 | 0.65 | MEN1 (0.74) | ALDH1A1TSHRCES2CES1TP53 | |
| Methane SCHEMBL28043489 | 0.65 | MEN1 (0.74) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL27858189 | 0.65 | MEN1 (0.74) | ALDH1A1TSHRCES2CES1TP53 | |
| Fluoride SCHEMBL28307367 | 0.65 | MEN1 (0.74) | ALDH1A1TSHRCES2CES1TP53 |
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-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |