Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
| ▸ | ITPR3 | Q14573 | 7/20 | 0.31 |
| ▸ | ITPR2 | Q14571 | 3/20 | 0.31 |
| ▸ | ITPR1 | Q14643 | 3/20 | 0.31 |
| ▸ | INPP5A | Q14642 | 1/20 | 0.30 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28170980 | 1.00 | SMPD1 (0.32) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL27449793 | 0.98 | SMPD1 (0.33) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL10383450 | 0.83 | FDPS (0.31) | — | |
| SCHEMBL9320444 | 0.80 | — | — | |
| SCHEMBL29167358 | 0.76 | — | — | |
| SCHEMBL27664624 | 0.72 | — | — | |
| SCHEMBL6690286 | 0.71 | INPP5A (0.35) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL25642458 | 0.69 | INPP5A (0.38) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL26919943 | 0.69 | INPP5A (0.38) | SMPD1ITPR3ITPR2ITPR1INPP5A | |
| SCHEMBL6373553 | 0.69 | SMPD1 (0.40) | SMPD1ITPR3ITPR2ITPR1INPP5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715615-A | Biaryl methyl heterocycles | 蒙特利尔大学 | 2019-05-03 | — | — | CN | disclosed |