Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.57 |
| ▸ | RELA | Q04206 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RARB | P10826 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | ACR | P10323 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9457633 | 1.00 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9406307 | 1.00 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9406219 | 1.00 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9477526 | 1.00 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8449005 | 0.94 | LMNA (0.49) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14767282 | 0.92 | MAPT (0.48) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14766045 | 0.92 | MAPT (0.48) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9405742 | 0.92 | RARB (0.53) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8448969 | 0.92 | NPC1 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9405901 | 0.92 | RARB (0.53) | NPC1LMNANFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| US-5279764-A | Dihalogenobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |