Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | THRA | P10827 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9507747 | 1.00 | NPC1 (0.56) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL11664466 | 1.00 | NPC1 (0.56) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9506640 | 1.00 | NPC1 (0.56) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9508417 | 1.00 | NPC1 (0.56) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9799596 | 0.96 | RARB (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL11413233 | 0.93 | LMNA (0.52) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9513365 | 0.89 | THRA (0.57) | SMN1; SMN2THRATHRBMAPTKMT2A | |
| SCHEMBL11420695 | 0.88 | NPC1 (0.49) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL11405601 | 0.87 | THRA (0.55) | NPC1SMN1; SMN2THRATHRBMAPT | |
| SCHEMBL10596404 | 0.87 | NPC1 (0.61) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372033-B1 | THERMOCHROMIC ESTERS | MERCK PATENT GmbH (DE) | 1993-08-11 | — | — | EP | disclosed |
| US-5130049-A | Liquid crystalline phase; electrooptics, thermography | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0372033-A1 | THERMOCHROMIC ESTERS. | MERCK PATENT GMBH (DE) | 1990-06-13 | — | — | EP | disclosed |
| WO-1989010914-A1 | THERMOCHROMIC ESTERS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-11-16 | — | — | WO | disclosed |