Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1968215 | 0.84 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1981460 | 0.77 | TSHR (0.69) | LMNATSHRACHEALOX12ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL27503946 | 0.77 | TSHR (0.69) | LMNATSHRACHEALOX12ALDH1A1 | |
| Toluene SCHEMBL27793153 | 0.75 | TSHR (0.58) | LMNATSHRACHEALOX12ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL27325490 | 0.74 | TSHR (0.65) | LMNATSHRACHEALOX12ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL11807566 | 0.74 | TSHR (0.65) | LMNATSHRACHEALOX12ALDH1A1 | |
| SCHEMBL190658 | 0.71 | — | — | |
| Toluene SCHEMBL28196486 | 0.71 | ACHE (0.79) | LMNATSHRACHEALOX12ALDH1A1 | |
| Toluene SCHEMBL27386132 | 0.71 | — | — | |
| Toluene SCHEMBL9480568 | 0.71 | ACHE (0.92) | LMNATSHRACHEALOX12ALDH1A1 |
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-5650542-A | Process for the preparation of 2-chloro-6-nitrophenyl alkyl sulphides and novel 2-chloro-6-nitrophenyl alkyl sulphides | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-22 | — | — | US | disclosed |