Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419312 | 0.99 | RAB9A (0.41) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9562728 | 0.99 | RAB9A (0.41) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9346729 | 0.99 | RAB9A (0.41) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9419311 | 0.92 | CCR1 (0.43) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9419266 | 0.88 | CCR1 (0.46) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9345628 | 0.85 | KDM4E (0.46) | RAB9ATP53ALDH1A1MAPTDGAT1 | |
| SCHEMBL17809785 | 0.83 | THRB (0.38) | ALDH1A1MAPTGAATHRBNPSR1 | |
| SCHEMBL9343407 | 0.83 | RAB9A (0.52) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL10337555 | 0.83 | RAB9A (0.52) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL9341801 | 0.83 | RAB9A (0.52) | RAB9ANPC1NFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| 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 |