Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4540900 | 0.72 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6TSHRLMNA | |
| SCHEMBL4541336 | 0.69 | ADK (0.33) | CYP1A2CYP3A4CYP2D6LMNAALDH1A1 | |
| SCHEMBL4923979 | 0.64 | LMNA (0.48) | CYP1A2CYP3A4CYP2D6TSHRLMNA | |
| SCHEMBL4541331 | 0.64 | LRRK2 (0.40) | CYP1A2CYP3A4CYP2D6TSHRLMNA | |
| SCHEMBL2019257 | 0.64 | LMNA (0.41) | LMNAMAPK1CLK4SMN1; SMN2HTT | |
| SCHEMBL4926047 | 0.63 | ALDH1A1 (0.47) | TSHRLMNAALDH1A1MAPK1KDM4E | |
| SCHEMBL3701676 | 0.63 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6MAPK1CLK4 | |
| SCHEMBL3701674 | 0.63 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6MAPK1CLK4 | |
| SCHEMBL2717143 | 0.63 | MAP4K4 (0.41) | LMNAMAPK1CLK4SMN1; SMN2HTT | |
| SCHEMBL9960486 | 0.62 | EGFR (0.40) | CYP1A2CYP3A4CYP2D6TSHRLMNA |
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 |