Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28932018 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2AAKT1 | |
| SCHEMBL29359021 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2AAKT1 | |
| SCHEMBL856369 | 0.81 | PDE10A (0.46) | CYP1A2CYP2D6MAPTKMT2AAKT1 | |
| SCHEMBL18399090 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2D6MAPTKMT2ARAF1 | |
| SCHEMBL23763177 | 0.79 | KRAS (0.36) | CYP1A2CYP2D6MAPTKMT2AAKT1 | |
| SCHEMBL29968495 | 0.78 | ALDH1A1 (0.43) | CYP1A2CYP2D6KMT2AMEN1CYP2C19 | |
| SCHEMBL23763096 | 0.78 | ALDH1A1 (0.43) | CYP1A2CYP2D6KMT2AMEN1CYP2C19 | |
| SCHEMBL2815691 | 0.78 | PDE10A (0.46) | CYP1A2CYP2D6MAPTKMT2APIK3CA | |
| SCHEMBL16094599 | 0.76 | PIK3CD (0.44) | CYP1A2CYP2D6MAPTKMT2AAKT1 | |
| SCHEMBL18398916 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2D6MAPTKMT2ARAF1 |
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-8173647-B2 | PI 3-kinase inhibitors and methods of their use | NOVARTIS AG (CH) | 2012-05-08 | — | — | US | disclosed |
| US-8173647-B2 | PI 3-kinase inhibitors and methods of their use | NOVARTIS AG (CH) | 2012-05-08 | — | — | US | disclosed |
| US-8173647-B2 | PI 3-kinase inhibitors and methods of their use | NOVARTIS AG (CH) | 2012-05-08 | — | — | US | disclosed |
| EP-2118087-B1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2012-03-28 | — | — | EP | disclosed |
| US-20100048547-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2010-02-25 | — | — | US | disclosed |
| US-20100048547-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2010-02-25 | — | — | US | disclosed |
| US-20100048547-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2010-02-25 | — | — | US | disclosed |
| EP-2118087-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | Novartis Ag (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008098058-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2008-08-14 | — | — | WO | 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-20100048547-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | PI4KA, PI4KB, PI4K2A | CYP1A2 4501/4885CYP2D6 4810/4885MAPT 3354/4885 |
“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.