Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12376948 | 0.98 | TSHR (0.41) | TSHRCYP3A4ALDH1A1HRH3HTT | |
| SCHEMBL4464058 | 0.80 | TSHR (0.39) | TSHRCYP3A4ALDH1A1HTTMAPT | |
| SCHEMBL25754313 | 0.80 | ALDH1A1 (0.39) | TSHRALDH1A1HTTKDM4E | |
| SCHEMBL8050553 | 0.79 | ALDH1A1 (0.36) | TSHRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL30301314 | 0.77 | ALDH1A1 (0.35) | TSHRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL562486 | 0.76 | — | — | |
| SCHEMBL12955854 | 0.76 | KDM4E (0.33) | TSHRALDH1A1HTTMAPTMEN1 | |
| Benzene SCHEMBL1450969 | 0.75 | TSHR (0.60) | TSHRCYP3A4ALDH1A1HTTMAPT | |
| SCHEMBL8387396 | 0.75 | TBXAS1 (0.62) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| Fluoride SCHEMBL29252578 | 0.74 | NPC1 (0.45) | TSHRALDH1A1HTTMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014665-A2 | IN SITU FORMATION OF HYDROXY CHAIN END FUNCTIONAL POLYOLEFINS | THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) | 2011-02-03 | — | — | WO | disclosed |