Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 12/20 | 0.48 |
| ▸ | CES1 | P23141 | 11/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4884648 | 0.91 | CES2 (0.65) | ALDH1A1CES2CES1TSHR | |
| Hydrochloric Acid SCHEMBL31298885 | 0.89 | CES2 (0.62) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL14844429 | 0.88 | CPT1B (0.54) | ALDH1A1TDP1CES2CES1TAS1R3 | |
| Hydrochloric Acid SCHEMBL6544642 | 0.87 | CES2 (0.60) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL17652925 | 0.85 | CES2 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL38133 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| Benzil SCHEMBL5013455 | 0.83 | CES2 (0.64) | ALDH1A1CES2CES1TSHR | |
| Trimethylammonium SCHEMBL2473941 | 0.82 | RAB9A (0.55) | ALDH1A1CES2CES1TSHR | |
| Ethylenediamine SCHEMBL28198105 | 0.82 | CES2 (0.54) | ALDH1A1CES2CES1TAS1R3TAS1R1 | |
| SCHEMBL16536 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1CES2CES1TSHR |
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-7842830-B2 | Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof | GEORGIA TECH RESEARCH CORPORATION (US) | 2010-11-30 | — | — | US | disclosed |
| EP-1753747-B1 | 5,6-DIPHENYL-1,2,4-TRIAZINIC DIMERIC DERIVATIVES AND THE USE THEREOF IN THE FORM OF SUN-PROTECTIVE AGENTS | FABRE PIERRE DERMO COSMETIQUE (FR) | 2010-01-13 | — | — | EP | disclosed |
| US-20080121870-A1 | Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof | GEORGIA TECH RESEACH CORPORATION | 2008-05-29 | — | — | US | disclosed |
| WO-2005123754-A2 | TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF | GEORGIA TECH RESEARCH CORPORATION (US) | 2005-12-29 | — | — | 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-20080121870-A1 | Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof | SLC39A3, SLC6A6, SLC6A9 | ALDH1A1 2421/4885TDP1 1699/4885CES2 1387/4885 |
“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.