Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3701676 | 0.84 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3701674 | 0.84 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL4534806 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL10282370 | 0.75 | PIK3CD (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL4541331 | 0.75 | LRRK2 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL14329176 | 0.75 | PIK3CD (0.47) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL4569302 | 0.75 | PIK3CD (0.47) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL4569336 | 0.74 | PIK3CD (0.41) | ALDH1A1LMNAKDM4EHTTPOLB | |
| SCHEMBL4540902 | 0.72 | CYP1A2 (0.35) | ALDH1A1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL4569352 | 0.72 | EGFR (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CLK4 |
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-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |