Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11901167 | 1.00 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11964439 | 0.95 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11901248 | 0.94 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11901249 | 0.94 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11901795 | 0.89 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11901800 | 0.89 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11900771 | 0.89 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11900773 | 0.89 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11902087 | 0.89 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11964441 | 0.84 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| 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 |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | NPC1 941/4885RAB9A 2082/4885SMN1; SMN2 3302/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.