Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.62 |
| ▸ | RELA | Q04206 | 3/20 | 0.62 |
| ▸ | RARB | P10826 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | ACR | P10323 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11553180 | 1.00 | NPC1 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11547017 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11548374 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11547005 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11546926 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11551199 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11547265 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11554354 | 0.99 | SMN1; SMN2 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11549242 | 0.97 | NPC1 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11550982 | 0.97 | NPC1 (0.64) | NPC1LMNACYP1A2CYP3A4CYP2D6 |
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-4136053-A | BIPHENYL ESTERS AND LIQUID CRYSTALLINE MIXTURES COMPRISING THEM | MERCK PATENT GESELLSCHAFT MIT BESCHANKTER HAFTUNG (DE) | 1979-01-23 | — | — | US | disclosed |
| US-4065489-A | Biphenyl esters and liquid crystalline mixtures comprising them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-12-27 | — | — | US | disclosed |