Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.55 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9716959 | 0.89 | ABCG2 (0.59) | ABCG2NPC1RAB9ASAE1UBA2 | |
| SCHEMBL2225311 | 0.87 | NPC1 (0.63) | ABCG2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL8149314 | 0.87 | NPC1 (0.63) | ABCG2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4933565 | 0.85 | ABCG2 (0.65) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| SCHEMBL417824 | 0.85 | ABCG2 (0.65) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| SCHEMBL417823 | 0.85 | ABCG2 (0.65) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| SCHEMBL4933573 | 0.85 | ABCG2 (0.65) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| Hydrochloric Acid SCHEMBL7054655 | 0.84 | ABCG2 (0.63) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| SCHEMBL7054652 | 0.84 | ABCG2 (0.63) | ABCG2NPC1RAB9ACYP1A1CYP1B1 | |
| SCHEMBL7054651 | 0.84 | ABCG2 (0.63) | ABCG2NPC1RAB9ACYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083413-A1 | PIPERAZINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-07-14 | — | — | WO | disclosed |