Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ECE2 | P0DPD6 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29376435 | 1.00 | NCF1 (0.52) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL84064 | 1.00 | NCF1 (0.52) | NCF1NOS2BACE1CA12CA9 | |
| Potassium SCHEMBL5616117 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL11208328 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| Hydrogen Sulfide SCHEMBL8626648 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL23198380 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL2478552 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| Methane SCHEMBL21724933 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL21545979 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 | |
| SCHEMBL8622817 | 0.97 | NCF1 (0.50) | NCF1NOS2BACE1CA12CA9 |
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-4009087-A | N-HETERO AROMATIC, AND SULFOALKYL OR SULFOARYL SULFIDE | M&T CHEMICALS INC. (US) | 1977-02-22 | — | — | US | claimed |
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |
| US-20050014945-A1 | Process for the production of high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]-piperazin-1-yl}-2,2-diphenylethan-1-one fumarate and high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-01-20 | — | — | US | disclosed |
| EP-1496899-A1 | USE OF MATERIALS HAVING ZINC IONOPHORIC BEHAVIOR | THE PROCTER & GAMBLE COMPANY (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003088965-A1 | USE OF MATERIALS HAVING ZINC IONOPHORIC BEHAVIOR | THE PROCTER & GAMBLE COMPANY (US) | 2003-10-30 | — | — | 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-20050014945-A1 | Process for the production of high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]-piperazin-1-yl}-2,2-diphenylethan-1-one fumarate and high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate | RAC1, FIS1, RHOT2 | NCF1 459/4885NOS2 4070/4885BACE1 4438/4885 |
“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.