Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27881047 | 0.94 | KCNH2 (0.58) | KCNH2SIGMAR1ADRA2ASLC6A2SLC6A4 | |
| Fluorobenzene SCHEMBL28265021 | 0.92 | KCNH2 (0.61) | KCNH2SIGMAR1CHRM2ADRA2ACHRM1 | |
| Fluorobenzene SCHEMBL28868670 | 0.89 | LPL (0.55) | KCNH2SIGMAR1CHRM2ADRA2ACHRM1 | |
| Butylbenzyl SCHEMBL22716183 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL16051 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL3229215 | 0.89 | SIGMAR1 (0.59) | KCNH2SIGMAR1CHRM2HTR1AADRA2A | |
| Butylbenzyl SCHEMBL1357980 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CA1CA2CHRM2 | |
| Butylbenzyl SCHEMBL363180 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CA1CA2CHRM2 | |
| Butylbenzyl SCHEMBL7713579 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CA1CA2CHRM2 | |
| Butylbenzyl SCHEMBL9545214 | 0.86 | SIGMAR1 (0.57) | KCNH2SIGMAR1CHRM2HTR1AADRA2A |
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-6307113-B1 | CATALYST COMPOSITION FORMED BY INCLUDING IN SAID MEDIUM A COMBINATION OF (I) A SHAPE SELECTIVE HY OR HMOR ZEOLITE CATALYST, AND (II) AT LEAST ONE LEWIS ACID | ALBEMARLE CORPORATION | 2001-10-23 | — | — | US | claimed |