Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 4/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9504590 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9504594 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9504491 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9507717 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9504488 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9504483 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9504598 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9507709 | 1.00 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9507668 | 0.99 | ACACB (0.44) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9507664 | 0.99 | ACACB (0.44) | NPC1LMNASMN1; SMN2NFKB1NFKB2 |
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-0372033-B1 | THERMOCHROMIC ESTERS | MERCK PATENT GmbH (DE) | 1993-08-11 | — | — | EP | claimed |
| 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 |