Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GPX4 | P36969 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10808601 | 0.90 | ALDH1A1 (0.47) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL16998573 | 0.84 | TP53 (0.53) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL27536448 | 0.83 | TP53 (0.58) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL17002042 | 0.83 | TP53 (0.55) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL17536268 | 0.82 | ALDH1A1 (0.56) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL16998571 | 0.81 | TP53 (0.53) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL11487958 | 0.81 | ALDH1A1 (0.62) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL15505753 | 0.80 | TP53 (0.55) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL15505752 | 0.80 | TP53 (0.55) | TP53ALDH1A1TDP1CYP3A4NR1I2 | |
| SCHEMBL10888309 | 0.79 | ALDH1A1 (0.63) | TP53ALDH1A1TDP1CYP3A4NR1I2 |
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-4599448-A | Novel N-(1-alkenyl)-chloroacetanilides as herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-08 | — | — | US | claimed |