Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2699404 | 0.84 | ALDH1A1 (0.59) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL9204320 | 0.80 | TP53 (0.70) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL8759407 | 0.80 | NPC1 (0.59) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL8171774 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL11338391 | 0.76 | ALDH1A1 (0.49) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL12298739 | 0.74 | TSHR (0.45) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL27935329 | 0.74 | POLQ (0.58) | ALDH1A1MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL9297349 | 0.74 | KMT2A (0.46) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL27300559 | 0.73 | ALDH1A1 (0.45) | ALDH1A1GLATSHRTP53SMN1; SMN2 | |
| SCHEMBL11336492 | 0.73 | ALDH1A1 (0.45) | ALDH1A1GLATSHRTP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0230871-A2 | Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes | Monsanto Company (US) | 1987-08-05 | — | — | EP | claimed |
| US-5000775-A | 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes | MONSANTO COMPANY (US) | 1991-03-19 | — | — | US | disclosed |