Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11509894 | 0.74 | TSHR (0.41) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL9161770 | 0.74 | ALDH1A1 (0.44) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL50370 | 0.74 | ALDH1A1 (0.48) | POLBTSHRALDH1A1NPSR1ALOX15 | |
| SCHEMBL4572683 | 0.73 | POLB (0.44) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL11682887 | 0.73 | TSHR (0.39) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL29556362 | 0.73 | POLB (0.44) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL2092885 | 0.72 | NPSR1 (0.50) | POLBTP53ALDH1A1NPSR1HTT | |
| SCHEMBL28597260 | 0.71 | POLB (0.43) | POLBTSHRLMNAMCOLN3TP53 | |
| SCHEMBL2092882 | 0.71 | NPSR1 (0.48) | POLBTP53ALDH1A1NPSR1HTT | |
| SCHEMBL9386229 | 0.70 | LMNA (0.39) | POLBTSHRLMNAMCOLN3TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5681903-A | REACTING POLYMERIC ALIPHATIC ALKANEDIOL WITH STABLE FREE RADICAL NITROXIDE IN PRESENCE OF NITROGEN OXIDE-GENERATING COMPOUND AND OXIDANT, SEPARATING POLYMERIC ALPHA, OMEGA-DIALDEHYDE AND/OR DIACID | SHELL OIL COMPANY (US) | 1997-10-28 | — | — | US | disclosed |
| EP-0488467-B1 | Preparation of alkoxyalkanoic acids | SHELL INT RESEARCH (NL) | 1996-01-31 | — | — | EP | disclosed |
| US-5488154-A | REACTING ALKOXYALKANE WITH FREE RADICAL NITROXIDE | SHELL OIL COMPANY (US) | 1996-01-30 | — | — | US | disclosed |
| US-5391822-A | Reacting corresponding branched alkoxyalkanol with stable free radical nitroxide in presence of nitrogen oxide-generating compound, oxidant and solvent, separating | SHELL OIL COMPANY (US) | 1995-02-21 | — | — | US | disclosed |
| US-5380930-A | Reacting alkoxyalkanol with a nitroxide | SHELL OIL COMPANY (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0488467-A2 | Preparation of alkoxyalkanoic acids | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-03 | — | — | EP | disclosed |