Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 4/20 | 0.43 |
| ▸ | BTK | Q06187 | 3/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 3/20 | 0.37 |
| ▸ | SRC | P12931 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | TEK | Q02763 | 2/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL9730506 | 0.87 | GSTP1 (0.57) | GSTP1LTA4HNCOA1NCOA3TSHR | |
| SCHEMBL7017341 | 0.79 | ATM (0.64) | GSTP1ATMLTA4HCYP11B1CYP11B2 | |
| SCHEMBL6331975 | 0.77 | NCOA1 (0.64) | GSTP1NCOA1NCOA3TSHRNPC1 | |
| SCHEMBL25873116 | 0.75 | GSTP1 (0.55) | GSTP1LTA4HNCOA1NCOA3TSHR | |
| SCHEMBL28064507 | 0.75 | LTA4H (0.55) | GSTP1ATMLTA4HCYP11B1CYP11B2 | |
| SCHEMBL27879614 | 0.75 | ATM (0.68) | ATMBTKPDK2CYP11B1CYP11B2 | |
| SCHEMBL21742650 | 0.73 | ATM (0.50) | ATMPDK2TSHRNPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL27719824 | 0.73 | GSTP1 (0.63) | GSTP1LTA4HNCOA1NCOA3TSHR | |
| SCHEMBL28130528 | 0.73 | LTA4H (0.57) | GSTP1ATMLTA4HCYP11B1CYP11B2 | |
| SCHEMBL21742860 | 0.73 | ATM (0.55) | ATMPDK2TSHRNPC1RAB9A |
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-5397793-A | Heterocyclicacetonitriles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1995-03-14 | — | — | US | disclosed |