Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9723171 | 0.87 | TYR (0.41) | ARTDP1 | |
| SCHEMBL9723264 | 0.86 | TYR (0.44) | ARTDP1 | |
| SCHEMBL9723151 | 0.84 | AR (0.37) | ARTRPV4KCNJ1TDP1L3MBTL1 | |
| SCHEMBL27738912 | 0.83 | AR (0.42) | ARTDP1L3MBTL1HTR2A | |
| SCHEMBL17719287 | 0.81 | CTSL (0.45) | CTSLCTSSCTSKTDP1 | |
| SCHEMBL27662460 | 0.81 | CTSL (0.36) | CTSLCTSSCTSK | |
| SCHEMBL9447151 | 0.80 | HTR2A (0.38) | ARKCNJ1HTR2A | |
| SCHEMBL9447144 | 0.80 | HTR2A (0.38) | ARKCNJ1HTR2A | |
| SCHEMBL29212552 | 0.79 | TRPV4 (0.32) | TRPV4KCNJ1EGLN2HTR2A | |
| SCHEMBL6646922 | 0.78 | TRPV4 (0.36) | TRPV4TDP1L3MBTL1EGLN2CYP11B1 |
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 3 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 |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |