Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RGS12 | O14924 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL11775581 | 1.00 | HTT (0.57) | HTTKCNH2NPC1THRBMEN1 | |
| Dodecane SCHEMBL27909924 | 1.00 | HTT (0.57) | HTTKCNH2NPC1THRBMEN1 | |
| Naphthalene SCHEMBL11775588 | 1.00 | HTT (0.57) | HTTKCNH2NPC1THRBMEN1 | |
| Tetradecane SCHEMBL9931457 | 1.00 | HTT (0.57) | HTTKCNH2NPC1THRBMEN1 | |
| Decane SCHEMBL11776802 | 1.00 | HTT (0.57) | HTTKCNH2NPC1THRBMEN1 | |
| Naphthalene SCHEMBL3417714 | 0.97 | HTT (0.54) | HTTKCNH2NPC1THRBMEN1 | |
| Naphthalene SCHEMBL28280654 | 0.90 | CYP2A6 (0.53) | HTTKCNH2NPC1THRBMEN1 | |
| Naphthalene SCHEMBL28274227 | 0.88 | HTT (0.48) | HTTKCNH2NPC1THRBMEN1 | |
| Naphthalene SCHEMBL11478573 | 0.87 | HTT (0.48) | HTTKCNH2NPC1THRBMEN1 | |
| Nonanol SCHEMBL29217536 | 0.87 | LMNA (0.62) | HTTKCNH2NPC1THRBMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5076909-A | Analyzing for aromatics by ultraviolet radiation | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-12-31 | — | — | US | disclosed |
| US-4988446-A | QUANTITATIVE ANALYSIS BY CHROMATOGRAPHY OF HYDROCARBON OILS, UV RADIATION | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-01-29 | — | — | US | disclosed |
| US-4202994-A | RASBERRY FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-05-13 | — | — | US | disclosed |