Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL392682 | 0.85 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL527814 | 0.85 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11845308 | 0.85 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11845314 | 0.85 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| P-Xylene SCHEMBL28251476 | 0.84 | ACHE (0.57) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28171567 | 0.83 | ACHE (0.50) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27574114 | 0.82 | ACHE (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL10610361 | 0.82 | ACHE (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27357620 | 0.82 | LMNA (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28313163 | 0.82 | ACHE (0.65) | ACHETSHRLMNAALOX12TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105601529-B | The synthetic method of pretilachlor | 浙江大学 | 2017-06-06 | — | — | CN | disclosed |
| US-5159113-A | Vinyl chloride reacted with carbon monoxide and amine | THE B. F. GOODRICH COMPANY (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0185350-A2 | Process for making acrylamide and N-substituted acrylamides | The B.F. GOODRICH Company (US) | 1986-06-25 | — | — | EP | disclosed |