Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 8/20 | 0.42 |
| ▸ | TYK2 | P29597 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10308911 | 0.80 | SCN5A (0.48) | SMPD3TYK2HSD11B1PDE2AIRAK4 | |
| SCHEMBL15306540 | 0.78 | SMPD3 (0.40) | SMPD3TYK2HSD11B1PDE2AIRAK4 | |
| SCHEMBL13976071 | 0.78 | SMPD3 (0.40) | SMPD3TYK2HSD11B1PDE2AIRAK4 | |
| SCHEMBL29962126 | 0.77 | PIM1 (0.49) | SMPD3TYK2JAK2JAK1JAK3 | |
| SCHEMBL15715204 | 0.77 | TYK2 (0.47) | SMPD3TYK2HSD11B1PDE2AHTR6 | |
| SCHEMBL7460458 | 0.77 | SMPD3 (0.67) | SMPD3TYK2HSD11B1PDE2A | |
| SCHEMBL15715208 | 0.77 | SMPD3 (0.42) | SMPD3TYK2HSD11B1PDE2AIRAK4 | |
| Hydrochloric Acid SCHEMBL29243906 | 0.76 | SMPD3 (0.65) | SMPD3TYK2HSD11B1PDE2A | |
| SCHEMBL15715199 | 0.73 | TGFBR1 (0.55) | SMPD3TYK2TGFBR1 | |
| SCHEMBL15159109 | 0.73 | PDE2A (0.39) | SMPD3TYK2HSD11B1PDE2AIRAK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019023417-A1 | MACROCYCLIC COMPOUNDS AND USES THEREOF | TP THERAPEUTICS, INC. (US) | 2019-01-31 | — | — | WO | disclosed |
| WO-2016054491-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2016-04-07 | — | — | WO | disclosed |
| WO-2015143012-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS | INFINITY PHARMACEUTICALS, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015051241-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |