Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10904410 | 1.00 | CES2 (0.44) | CES2CES1EPHX1CA12CA1 | |
| SCHEMBL8894143 | 0.79 | CES2 (0.46) | CES2CES1EPHX1CA12CA1 | |
| SCHEMBL6242702 | 0.78 | EPHX1 (0.46) | CES2CES1EPHX1CA12CA1 | |
| SCHEMBL1228934 | 0.78 | CES2 (0.50) | CES2CES1EPHX1HDAC8HDAC6 | |
| SCHEMBL16674533 | 0.78 | CES2 (0.50) | CES2CES1EPHX1HDAC8HDAC6 | |
| SCHEMBL2600359 | 0.78 | CES2 (0.50) | CES2CES1EPHX1HDAC8HDAC6 | |
| SCHEMBL11714520 | 0.78 | CES2 (0.50) | CES2CES1EPHX1CA12CA1 | |
| SCHEMBL12913433 | 0.76 | EPHX1 (0.44) | CES2CES1EPHX1CA12CA1 | |
| Cyclohexane SCHEMBL18344237 | 0.76 | EPHX1 (0.44) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL1595664 | 0.76 | EPHX1 (0.44) | EPHX1CA12CA1CA2MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4604486-A | PINACOL-TYPE REARRANGEMENT OF SOLFONYLOXY ALCOHOLS IN PRESENCE FO ORGANOALUMINUM COMPOUNDS | TOYO STAUFFER CHEMICAL CO., LTD. (JP) | 1986-08-05 | — | — | US | disclosed |