Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butanol SCHEMBL1418 | 0.82 | — | — | |
| Butanol SCHEMBL55899 | 0.82 | — | — | |
| Butanol SCHEMBL2012224 | 0.82 | TSHR (1.00) | TSHRTDP1ALDH1A1HSD17B10LMNA | |
| Butanol SCHEMBL55049 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL17512355 | 0.80 | TDP1 (0.67) | TSHRTDP1ALDH1A1LMNAKDM4E | |
| Butanol SCHEMBL11270518 | 0.79 | — | — | |
| Cyclohexane SCHEMBL8727010 | 0.79 | TSHR (0.77) | TSHRTDP1ALDH1A1HSD17B10LMNA | |
| Alcohol SCHEMBL1199528 | 0.79 | TDP1 (0.61) | TSHRTDP1ALDH1A1LMNAKDM4E | |
| Butanol SCHEMBL1554783 | 0.78 | — | — | |
| Butanol SCHEMBL5697609 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1990453-B | Process for producing nitrogen-containing compounds | KAO CORP | 2012-10-03 | — | — | CN | disclosed |
| CN-1990454-B | Process for producing nitrogen-containing compounds | KAO CORP | 2012-07-25 | — | — | CN | disclosed |
| CN-100484933-C | Novel pyrazine compounds, their use in preparing medicament for treating diseases correlated with serotonin | BIOVITRUM AB (SE) | 2009-05-06 | — | — | CN | disclosed |
| CN-1990453-A | Process for producing nitrogen-containing compounds | KAO CORP (JP) | 2007-07-04 | — | — | CN | disclosed |
| CN-1990454-A | Process for producing nitrogen-containing compounds | KAO CORP (JP) | 2007-07-04 | — | — | CN | disclosed |
| CN-1662522-A | Novel compounds, their use and preparation | BIOVITRUM AB (SE) | 2005-08-31 | — | — | CN | disclosed |