Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | TSPO | P30536 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12120830 | 0.83 | FABP3 (0.41) | NOS3NOS1NOS2IKBKBESR1 | |
| SCHEMBL12120834 | 0.79 | MRGPRX4 (0.37) | NOS3NOS1NOS2IKBKBESR1 | |
| SCHEMBL12120833 | 0.79 | BRD4 (0.46) | BRD4IKBKBCTSA | |
| SCHEMBL26704680 | 0.75 | NOS3 (0.34) | NOS3NOS1NOS2IKBKBESR1 | |
| SCHEMBL26704683 | 0.72 | NOS3 (0.40) | NOS3NOS1NOS2ESR1 | |
| SCHEMBL12120832 | 0.72 | NOS2 (0.42) | NOS3NOS1NOS2IKBKBESR1 | |
| SCHEMBL26704797 | 0.70 | HDAC1 (0.33) | NOS3NOS1NOS2IKBKBESR1 | |
| SCHEMBL12015752 | 0.68 | ALDH1A1 (0.41) | NPC1RAB9AHSP90AA1HSP90AB1 | |
| SCHEMBL12120836 | 0.66 | NOS3 (0.40) | NOS3NOS1NOS2ESR1 | |
| SCHEMBL1002273 | 0.65 | FABP3 (0.41) | BRD4NPC1RAB9AFABP3FABP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637549-B2 | Pyridons as PDK1 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20110313156-A1 | HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110313156-A1 | HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110269958-A1 | PYRIDONS AS PDK1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | 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 (2 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-20110313156-A1 | HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | PDK2, PDK4, CCNH | BRD4 1355/4885NOS3 2800/4885NOS1 1884/4885 |
| US-20110269958-A1 | PYRIDONS AS PDK1 INHIBITORS | PDK1, PDK2, PDK4 | BRD4 804/4885NOS3 2959/4885NOS1 2078/4885 |
“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.