Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | TP53 | P04637 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GPX4 | P36969 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9211212 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL10391685 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL9614333 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL9213147 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL9213893 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL11415835 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL16394235 | 0.80 | TP53 (0.67) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL9614221 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL9213896 | 0.78 | TP53 (0.55) | ALDH1A1TP53TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL11661300 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TP53TDP1CYP3A4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003000058-A1 | SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-01-03 | — | — | WO | claimed |
| EP-1453377-A1 | HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES | Bayer CropScience AG (DE) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003047346-A1 | HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-06-12 | — | — | WO | disclosed |