Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 13/20 | 0.42 |
| ▸ | DUT | P33316 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 4/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31555757 | 0.81 | CYP2C9 (0.46) | CYP2C9NOS1NOS2HCAR2PDE5A | |
| SCHEMBL5864388 | 0.78 | PDE5A (0.53) | CYP2C9NOS1NOS2HCAR2PDE5A | |
| SCHEMBL9320229 | 0.74 | NOS1 (0.56) | CYP2C9NOS1NOS2PDE5APDE4A | |
| SCHEMBL13950536 | 0.72 | NUDT1 (0.47) | CYP2C9NOS1NOS2PDE5APDE4A | |
| SCHEMBL11955038 | 0.71 | NUDT1 (0.50) | CYP2C9NOS1NOS2PDE5APDE4A | |
| SCHEMBL2314765 | 0.69 | DDAH1 (0.55) | CYP2C9NOS1NOS2PDE5APDE4A | |
| SCHEMBL7002580 | 0.69 | NUDT1 (0.58) | CYP2C9NOS1NOS2PDE5ANUDT1 | |
| SCHEMBL5214411 | 0.68 | NPC1 (0.55) | — | |
| SCHEMBL5201596 | 0.68 | MGAM (0.43) | — | |
| SCHEMBL8536561 | 0.67 | NPC1 (0.32) | DUT |
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-6984642-B1 | Substituted phenylcyclohexane carboxylic acid amides and their use as adenosine uptake inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2006-01-10 | — | — | US | disclosed |
| US-20040186106-A1 | Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect | BAYER HEALTHCARE AG (DE) | 2004-09-23 | — | — | US | disclosed |
| US-6716849-B1 | ISCHEMIC BRAIN DISORDERS; NEUROPROTECTANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-06 | — | — | US | disclosed |
| EP-1185516-B1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES THAT HAVE AN ADENOSINE UPTAKE INHIBITING EFFECT | BAYER AG (DE) | 2003-05-02 | — | — | EP | 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-20040186106-A1 | Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect | ADORA1, ADORA2A, ADORA3 | CYP2C9 551/4885NOS1 1561/4885NOS2 1319/4885 |
“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.