Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| SCHEMBL11104434 | 0.84 | THRB (0.57) | PDK2ALDH1A1THRBTDP1SMN1; SMN2 | |
| SCHEMBL120476 | 0.81 | THRB (0.53) | PDK2TP53ALDH1A1THRBTDP1 | |
| SCHEMBL30519841 | 0.74 | THRB (0.70) | PDK2THRBTDP1AKR1A1AKR1B1 | |
| SCHEMBL68561 | 0.74 | THRB (0.70) | PDK2THRBTDP1AKR1A1AKR1B1 | |
| SCHEMBL1982326 | 0.69 | PDK2 (0.47) | PDK2ALDH1A1SMN1; SMN2LMNAAKR1A1 | |
| SCHEMBL29827101 | 0.69 | PDK2 (0.47) | PDK2ALDH1A1SMN1; SMN2LMNAAKR1A1 | |
| SCHEMBL8539410 | 0.69 | THRB (0.55) | PDK2THRBTDP1AKR1A1AKR1B1 | |
| SCHEMBL28188587 | 0.67 | THRB (0.57) | PDK2THRBTDP1FABP4 | |
| SCHEMBL25134633 | 0.65 | PDK2 (0.59) | PDK2ALDH1A1TDP1SMN1; SMN2TSHR | |
| SCHEMBL27339701 | 0.65 | THRB (0.65) | PDK2ALDH1A1THRBTDP1RXFP1 |
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-4337080-A | DERIVATIVE OF 2,3:4,6-DI-O-ISOPROPYLIDENE-2-KETOGULONIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1982-06-29 | — | — | US | disclosed |