Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL25095983 | 0.88 | CYP17A1 (0.44) | CYP17A1L3MBTL1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL29760394 | 0.86 | GAA (0.40) | CYP17A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL23564871 | 0.86 | GAA (0.40) | CYP17A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7008553 | 0.85 | CYP17A1 (0.44) | CYP17A1L3MBTL1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL29823126 | 0.81 | PKM (0.46) | CYP17A1L3MBTL1PKMRAB9AMAPT | |
| SCHEMBL17059202 | 0.81 | PKM (0.46) | CYP17A1L3MBTL1PKMRAB9AMAPT | |
| SCHEMBL23579968 | 0.81 | MAPT (0.47) | L3MBTL1AKR1C2AKR1C1PKMMAPT | |
| SCHEMBL17722017 | 0.81 | RECQL (0.43) | RAB9AMAPTSMN1; SMN2NPC1MEN1 | |
| SCHEMBL5556908 | 0.80 | RAB9A (0.38) | CYP17A1RAB9AMAPTSMN1; SMN2NPC1 | |
| SCHEMBL22205981 | 0.79 | AKR1C2 (0.44) | L3MBTL1AKR1C2AKR1C1PKMRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110627655-B | Synthetic method of 2-bromo-5-fluoro-4-nitroaniline and intermediate thereof | 苏州旺山旺水生物医药有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-110627655-A | Synthetic method and intermediate of 2-bromo-5-fluoro-4-nitroaniline | 苏州旺山旺水生物医药有限公司 | 2019-12-31 | — | — | CN | disclosed |