Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PRKCI | P41743 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31607260 | 0.89 | KDM4E (0.63) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL31473547 | 0.89 | KDM4E (0.63) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL57525 | 0.89 | KDM4E (0.63) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL29484714 | 0.89 | KDM4E (0.63) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL29042408 | 0.88 | KDM4E (0.61) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| Bromide SCHEMBL27866709 | 0.88 | KDM4E (0.61) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL20237398 | 0.88 | KDM4E (0.61) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL30302967 | 0.88 | KDM4E (0.61) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| Quinoxaline SCHEMBL27442177 | 0.81 | KDM4E (0.55) | KDM4ESMN1; SMN2TP53MAPK1NPC1 | |
| SCHEMBL4242615 | 0.80 | KDM4E (0.54) | KDM4ESMN1; SMN2TP53MAPK1NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093240-B2 | Triazole derivatives | MERCK PATENT GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| US-20080306042-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-12-11 | — | — | US | claimed |
| EP-2483278-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| EP-2322527-A1 | Triazole derivatives | Merck Patent GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2011036280-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | 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-20080306042-A1 | Triazole Derivatives | TGFBR1, TGFBR2, SMAD3 | KDM4E 2733/4885SMN1; SMN2 4841/4885TP53 293/4885 |
“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.