Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | ITPR3 | Q14573 | 10/20 | 0.45 |
| ▸ | ITPR2 | Q14571 | 5/20 | 0.45 |
| ▸ | ITPR1 | Q14643 | 5/20 | 0.45 |
| ▸ | INPP5A | Q14642 | 4/20 | 0.44 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL8691271 | 0.89 | ITPR3 (0.53) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL8690883 | 0.89 | ITPR3 (0.53) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL16869500 | 0.82 | SMPD1 (0.38) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL16869663 | 0.80 | ITPR3 (0.38) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL15335159 | 0.75 | — | — | |
| SCHEMBL12858494 | 0.75 | — | — | |
| SCHEMBL16869598 | 0.75 | — | — | |
| SCHEMBL9295329 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL12858416 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL9767712 | 0.71 | CA2 (0.35) | — |
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-20160168607-A1 | Inositol Biotransformation | UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2016-06-16 | — | — | US | disclosed |