Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.54 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.54 |
| ▸ | ITGAL | P20701 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11889186 | 0.74 | ITGB2 (0.51) | CYP2A6ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL449348 | 0.73 | CYP2A6 (1.00) | CYP2A6ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL30187599 | 0.73 | PTPN22 (0.58) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2231553 | 0.73 | ALDH1A1 (0.48) | CYP2A6ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL226246 | 0.73 | POLB (0.54) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2233625 | 0.73 | PTPN22 (0.58) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL29365294 | 0.73 | ALDH1A1 (0.48) | CYP2A6ITGB2ICAM1ITGALALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11476794 | 0.71 | CYP2A6 (0.95) | CYP2A6ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL30550559 | 0.70 | ALDH1A1 (0.50) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL253961 | 0.70 | ALDH1A1 (0.50) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 |
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-20100022804-A1 | PROCESS FOR THE PRODUCTION OF FLUORINATED AROMATIC RINGS BY SIMULTANEOUS COOLING AND MICROWAVE HEATED HALOGEN EXCHANGE | Pearhill Technologies LLC | 2010-01-28 | — | — | US | disclosed |