Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5058376 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| Hydrochloric Acid SCHEMBL6484783 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL774393 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL1911809 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL3377786 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL28326498 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL11617260 | 0.78 | SLC6A4 (0.63) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL2019106 | 0.78 | TAAR1 (0.68) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL42577 | 0.78 | IDO1 (0.65) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL19783801 | 0.77 | CYP2D6 (0.51) | ALDH1A1CYP3A4MEN1MAPTTHRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9023857-B2 | Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2015-05-05 | — | — | US | disclosed |
| EP-2391626-B1 | SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS | Univerzita Palackého v Olomouci (CZ) | 2014-10-01 | — | — | EP | disclosed |
| EP-2430036-B1 | SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES | Univerzita Palackého v Olomouci (CZ) | 2014-07-30 | — | — | EP | disclosed |
| US-20140066394-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | BIOPATTERNS, S.R.O (CZ) | 2014-03-06 | — | — | US | disclosed |
| US-20120071433-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2012-03-22 | — | — | US | disclosed |
| US-20110287111-A1 | SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2011-11-24 | — | — | 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 (3 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-20110287111-A1 | SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS | CDK6, CCNI, CDK2 | ALDH1A1 1434/4885CYP3A4 1591/4885MEN1 3139/4885 |
| US-20140066394-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | PNP, NUDT1, TYMP | ALDH1A1 1432/4885CYP3A4 4358/4885MEN1 4741/4885 |
| US-20120071433-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | CD38, NUDT1, PNP | ALDH1A1 1408/4885CYP3A4 4487/4885MEN1 4668/4885 |
“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.