Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12472675 | 1.00 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472950 | 0.92 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472949 | 0.92 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472163 | 0.89 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472164 | 0.89 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL11901485 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL11901484 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471796 | 0.82 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471799 | 0.82 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472653 | 0.79 | JAK1 (0.36) | — |
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-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |