Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MRGPRX1 | Q96LB2 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSPO | P30536 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9406321 | 1.00 | CYP2C9 (0.36) | CYP2C9HTTTDP1MRGPRX1MAPT | |
| SCHEMBL12741056 | 0.92 | CYP2C9 (0.36) | CYP2C9HTTTDP1MRGPRX1MAPT | |
| SCHEMBL12737594 | 0.92 | CYP2C9 (0.36) | CYP2C9HTTTDP1MRGPRX1MAPT | |
| SCHEMBL10020091 | 0.88 | MAPT (0.33) | CYP2C9HTTTDP1MRGPRX1MAPT | |
| SCHEMBL10020105 | 0.87 | MAPT (0.32) | CYP2C9HTTTDP1MRGPRX1MAPT | |
| SCHEMBL6895361 | 0.87 | MEN1 (0.38) | CYP2C9HTTMAPTSCN1ASCN2A | |
| SCHEMBL6895366 | 0.87 | MEN1 (0.38) | CYP2C9HTTMAPTSCN1ASCN2A | |
| SCHEMBL6895370 | 0.87 | MEN1 (0.38) | CYP2C9HTTMAPTSCN1ASCN2A | |
| SCHEMBL6895375 | 0.87 | MEN1 (0.38) | CYP2C9HTTMAPTSCN1ASCN2A | |
| SCHEMBL13025942 | 0.86 | VEGFA (0.35) | CYP2C9HTTTDP1MRGPRX1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5279764-A | Dihalogenobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5230827-A | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-27 | — | — | US | disclosed |
| EP-0358741-B1 | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0358741-A1 | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID. | MERCK PATENT GMBH (DE) | 1990-03-21 | — | — | EP | disclosed |
| WO-1989008688-A1 | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |