Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.50 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.50 |
| ▸ | ITPR3 | Q14573 | 7/20 | 0.47 |
| ▸ | ITPR2 | Q14571 | 3/20 | 0.47 |
| ▸ | ITPR1 | Q14643 | 3/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | INPP5A | Q14642 | 1/20 | 0.47 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.47 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9000966 | 0.98 | SMPD1 (0.55) | SMPD1TLR4LY96ITPR3ITPR2 | |
| SCHEMBL4285698 | 0.92 | ITPR3 (0.52) | SMPD1TLR4LY96ITPR3ITPR2 | |
| SCHEMBL3075893 | 0.92 | LY96 (0.53) | SMPD1TLR4LY96NAAA | |
| SCHEMBL3063341 | 0.92 | LY96 (0.53) | SMPD1TLR4LY96NAAA | |
| SCHEMBL3075469 | 0.90 | LY96 (0.55) | SMPD1TLR4LY96GPR55NAAA | |
| SCHEMBL3082731 | 0.90 | LY96 (0.55) | SMPD1TLR4LY96GPR55NAAA | |
| SCHEMBL9000958 | 0.89 | ITPR3 (0.52) | SMPD1ITPR3ITPR2ITPR1AKT1 | |
| SCHEMBL3653390 | 0.88 | ITPR3 (0.53) | SMPD1TLR4LY96ITPR3ITPR2 | |
| SCHEMBL3075504 | 0.87 | LY96 (0.48) | SMPD1TLR4LY96ITPR3ITPR2 | |
| SCHEMBL3076907 | 0.87 | LY96 (0.48) | SMPD1TLR4LY96ITPR3ITPR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730460-A1 | THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS | PERSTORP AB (SE) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014477-A1 | THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS | PERSTORP AB (SE) | 1995-06-01 | — | — | WO | disclosed |