Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL29255955 | 0.85 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6LMNATDP1 | |
| Fluorobenzene SCHEMBL25292684 | 0.85 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6TDP1KCNN4 | |
| Fluorobenzene SCHEMBL5606701 | 0.85 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6LMNATDP1 | |
| Fluorobenzene SCHEMBL15544432 | 0.83 | NFE2L2 (0.53) | NFE2L2ALDH1A1CYP2A6MAPTKCNN4 | |
| SCHEMBL22526495 | 0.83 | NFE2L2 (0.53) | NFE2L2ALDH1A1CYP2A6MAPTKCNN4 | |
| Fluorobenzene SCHEMBL7024891 | 0.83 | — | — | |
| Fluorobenzene SCHEMBL14012524 | 0.83 | — | — | |
| Fluorobenzene SCHEMBL12363 | 0.83 | — | — | |
| Fluorobenzene SCHEMBL29242128 | 0.82 | NFE2L2 (0.44) | NFE2L2ALDH1A1CYP2A6LMNATDP1 | |
| Benzaldehyde SCHEMBL17458757 | 0.80 | ALDH1A1 (0.74) | NFE2L2ALDH1A1CYP2A6LMNAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1288465-A | Triazolo-pyridazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME (GB) | 2001-03-21 | — | — | CN | disclosed |
| CN-1009824-B | PROCESS FOR PRODUCTION OF N,N-DISUBSTD. CARBOXYLIC ACID AMIDES | TOKUNOYAMA SODA CORP (JP) | 1990-10-03 | — | — | CN | disclosed |
| CN-1036212-A | Organic polymer material and with the ion-exchange membrane of this material preparation | ICI PLC (GB) | 1989-10-11 | — | — | CN | disclosed |
| CN-86100282-A | N, the manufacture method of N-two generations carboxylic acyloxy amine | — | 1986-07-16 | — | — | CN | disclosed |