Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11020137 | 0.86 | TDP1 (0.63) | RAB9AMAPK1NPC1ESR1ESR2 | |
| SCHEMBL4530882 | 0.83 | TDP1 (0.70) | RAB9AMAPK1NPC1ESR1ESR2 | |
| SCHEMBL7773822 | 0.82 | RAB9A (0.61) | RAB9AMAPK1NPC1ESR1ESR2 | |
| SCHEMBL160420 | 0.80 | ESR1 (0.66) | RAB9AMAPK1NPC1ESR1TDP1 | |
| SCHEMBL7163991 | 0.80 | ESR1 (0.55) | RAB9AMAPK1NPC1ESR1ESR2 | |
| SCHEMBL4473542 | 0.79 | ESR1 (0.59) | RAB9AMAPK1NPC1ESR1TDP1 | |
| SCHEMBL29709386 | 0.79 | ESR1 (0.59) | RAB9AMAPK1NPC1ESR1TDP1 | |
| SCHEMBL17396777 | 0.78 | TDP1 (0.73) | MAPK1ESR1ESR2TDP1LMNA | |
| SCHEMBL11688128 | 0.78 | RAB9A (0.56) | RAB9AMAPK1NPC1ESR1ESR2 | |
| SCHEMBL22497786 | 0.78 | ESR1 (0.61) | RAB9AMAPK1NPC1ESR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0374922-A2 | Process for the production of 3,5,6-trihydroxyhexanoic acid derivative | Kanegafuchi Chemical Industry Co., Ltd. (JP) | 1990-06-27 | — | — | EP | disclosed |