Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 4/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3440505 | 0.81 | GABRA1 (0.38) | — | |
| SCHEMBL27656494 | 0.78 | MAOB (0.62) | MAOBCYP4F2CYP4A11NR4A2LTB4R | |
| SCHEMBL11855841 | 0.78 | ALDH1A1 (0.41) | L3MBTL1MEN1KMT2A | |
| SCHEMBL770110 | 0.77 | DHODH (0.41) | MEN1KMT2A | |
| SCHEMBL28961906 | 0.76 | ALDH1A1 (0.41) | LMNAL3MBTL1MEN1KMT2A | |
| SCHEMBL165269 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL11566779 | 0.75 | MAOB (0.62) | MAOBCYP4F2CYP4A11BCHENR4A2 | |
| SCHEMBL3175420 | 0.75 | MAOB (0.61) | MAOBCYP4F2CYP4A11BCHENR4A2 | |
| SCHEMBL3080494 | 0.75 | MAOB (0.55) | MAOBCYP4F2CYP4A11BCHENR4A2 | |
| SCHEMBL865387 | 0.73 | CA12 (0.53) | LMNAL3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012073249-A1 | A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS. | ARCH PHARMALABS LIMITED (IN) | 2012-06-07 | — | — | WO | disclosed |