Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | GCK | P35557 | 2/20 | 0.46 |
| ▸ | FADS1 | O60427 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636998 | 0.87 | ABL1 (0.50) | NOS2ALDH1A1MAPK1HIF1ACYP3A4 | |
| SCHEMBL10749967 | 0.85 | NOS2 (0.62) | NOS2RECQLFADS1ALDH1A1TSHR | |
| SCHEMBL8990156 | 0.84 | NOS2 (0.60) | NOS2RECQLFADS1ALDH1A1ALOX15 | |
| SCHEMBL11747784 | 0.83 | ERCC5 (0.56) | NOS2RECQLALDH1A1MAPK1HIF1A | |
| SCHEMBL10748798 | 0.83 | NOS2 (0.59) | NOS2RECQLALOX15 | |
| SCHEMBL2450666 | 0.82 | ALDH1A1 (0.61) | NOS2RECQLGCKFADS1ALDH1A1 | |
| SCHEMBL5636039 | 0.82 | KEAP1 (0.54) | NOS2FADS1ALDH1A1 | |
| SCHEMBL2081805 | 0.81 | NOS2 (0.65) | NOS2RECQLGCKFADS1ALDH1A1 | |
| SCHEMBL8574123 | 0.81 | CA1 (0.55) | ALDH1A1MAPK1HIF1ASMN1; SMN2KMT2A | |
| SCHEMBL28412044 | 0.80 | THRB (0.49) | NOS2RECQLALDH1A1HIF1ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0852224-B1 | Aryne intermediates towards the preparation of herbicidal sulfamoyl urea and a process for their preparation | AMERICAN CYANAMID CO (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5426230-A | Process for the preparation of 4-chloro-2-cyclopropylcarbonylaniline | MERCK & CO., INC. (US) | 1995-06-20 | — | — | US | disclosed |
| WO-1995013273-A1 | ASYMMETRIC SYNTHESIS OF (S)-(-)-6-CHLORO-4-CYCLOPROPYL-3,4-DIHYDRO-4-[(2-PYRIDYL)ETHYNYL]-2(1H)-QUINAZOLINONE | MERCK & CO., INC. (US) | 1995-05-18 | — | — | WO | disclosed |