Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6725176 | 0.91 | CXCR4 (0.40) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL31456577 | 0.90 | HPRT1 (0.50) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL8714223 | 0.90 | HPRT1 (0.50) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| Hydrochloric Acid SCHEMBL8713800 | 0.88 | HPRT1 (0.48) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL31668742 | 0.80 | HSD17B10 (0.42) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL634543 | 0.80 | HSD17B10 (0.42) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| Iodide SCHEMBL29247920 | 0.79 | HSD17B10 (0.41) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL9707362 | 0.79 | HPRT1 (0.54) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL21187691 | 0.74 | KIF11 (0.40) | ALDH1A1HSD17B10TDP1MAPTSRC | |
| SCHEMBL27701692 | 0.74 | HPRT1 (0.52) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR |
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-20190228843-A1 | Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction | JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-25 | — | — | US | disclosed |