Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16428424 | 0.88 | TRPV4 (0.35) | TRPV4KCNJ1L3MBTL1TDP1EGLN2 | |
| SCHEMBL28574963 | 0.86 | AR (0.36) | ARTRPV4CYP2A6AOC3L3MBTL1 | |
| SCHEMBL16122697 | 0.84 | AR (0.35) | ARTRPV4CYP2A6KCNJ1AOC3 | |
| SCHEMBL9723274 | 0.84 | AR (0.40) | ARTRPV4KCNJ1L3MBTL1TDP1 | |
| SCHEMBL12763603 | 0.84 | AR (0.38) | ARTRPV4KCNJ1AOC3L3MBTL1 | |
| SCHEMBL23835170 | 0.82 | GABRA1 (0.38) | ARTRPV4CYP2A6AOC3L3MBTL1 | |
| SCHEMBL18552713 | 0.82 | AR (0.44) | ARKCNJ1AOC3 | |
| SCHEMBL12648422 | 0.82 | GABRA1 (0.40) | ARL3MBTL1TDP1 | |
| SCHEMBL6646922 | 0.81 | TRPV4 (0.36) | TRPV4L3MBTL1TDP1KDM4EHPGD | |
| SCHEMBL14948935 | 0.80 | AR (0.36) | ARAOC3KDM4ECYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |
| EP-0363458-A1 | 2,3-DIFLUOROBENZENES. | MERCK PATENT GMBH (DE) | 1990-04-18 | — | — | EP | disclosed |
| CN-1037327-A | Preparation 2, the method for 3-phenyl-difluoride class | MERCK PATENT GMBH (DE) | 1989-11-22 | — | — | CN | disclosed |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |