Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MRGPRX4 | Q96LA9 | 5/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ACP1 | P24666 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6808366 | 0.89 | EGFR (0.53) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL4161097 | 0.87 | NPC1 (0.53) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL5457607 | 0.87 | MRGPRX4 (0.54) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL229472 | 0.87 | MRGPRX4 (0.69) | HPGDRAB9AMRGPRX4PTGER1S1PR5 | |
| SCHEMBL31031135 | 0.84 | MRGPRX4 (0.56) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL4747320 | 0.84 | MAOB (0.59) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL2744895 | 0.84 | PARP10 (0.59) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL12692658 | 0.84 | HPGD (0.56) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL8512033 | 0.83 | SLC6A2 (0.57) | NPC1HPGDRAB9ASMN1; SMN2MRGPRX4 | |
| SCHEMBL8512056 | 0.81 | BRD4 (0.64) | NPC1HPGDSMN1; SMN2MRGPRX4PTGER1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0373191-B1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GMBH (DE) | 1994-07-13 | — | — | EP | disclosed |
| US-5209866-A | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0373191-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-06-20 | — | — | EP | disclosed |
| WO-1989008649-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332024-A1 | Heterocyclic derivatives of 1,2-difluorobenzene | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |