Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6378525 | 1.00 | NPC1 (0.48) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL27915053 | 1.00 | NPC1 (0.48) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL6379896 | 1.00 | NPC1 (0.48) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL11940413 | 1.00 | NPC1 (0.48) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL192534 | 1.00 | NPC1 (0.48) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL191351 | 0.98 | NPC1 (0.45) | NPC1CYP1A2NAAASMN1; SMN2TSHR | |
| SCHEMBL677762 | 0.93 | NAAA (0.47) | NPC1CYP1A2NAAAEPHX1EPHX2 | |
| SCHEMBL11836350 | 0.93 | NAAA (0.47) | NPC1CYP1A2NAAAEPHX1EPHX2 | |
| SCHEMBL2606649 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL27967552 | 0.92 | TSHR (0.45) | NPC1CYP1A2NAAASMN1; SMN2TSHR |
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-5414142-A | Process for the preparation of medium sized carbocyclic alkyl ethers | LORILLARD TOBACCO COMPANY (US) | 1995-05-09 | — | — | US | claimed |
| CN-103012628-A | Solid catalyst for olefin polymerization and process for producing olefin polymer | SUMITOMO CHEMICAL CO | 2013-04-03 | — | — | CN | disclosed |
| US-5414142-A | Process for the preparation of medium sized carbocyclic alkyl ethers | LORILLARD TOBACCO COMPANY (US) | 1995-05-09 | — | — | US | disclosed |