Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 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 | |
|---|---|---|---|---|
| SCHEMBL4318 | 0.85 | CYP3A4 (0.54) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| SCHEMBL21533 | 0.85 | CYP3A4 (0.54) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| SCHEMBL6133 | 0.85 | CYP3A4 (0.54) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28141900 | 0.83 | KMT2A (0.56) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| Methane SCHEMBL28682583 | 0.83 | CYP3A4 (0.52) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| SCHEMBL12417430 | 0.82 | PTGS2 (0.50) | PTGS2ALDH1A1MAPTHPGDACACB | |
| SCHEMBL27629222 | 0.80 | PTGS2 (0.48) | PTGS2ALDH1A1MAPTHPGDACACB | |
| SCHEMBL24398870 | 0.78 | CYP3A4 (0.48) | PTGS2ALDH1A1MAPTHPGDCYP3A4 | |
| SCHEMBL13824244 | 0.78 | ADRA2C (0.53) | ALDH1A1MAPTHPGDCYP3A4CYP2D6 | |
| SCHEMBL8693501 | 0.77 | ACACB (0.57) | ALDH1A1HPGDACACBACACASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |
| US-7713961-B2 | Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |
| US-20090325940-A1 | Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-31 | — | — | 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 (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-20090325940-A1 | Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof | PSEN1, PSEN2, BACE1 | PTGS2 2860/4885ALDH1A1 511/4885MAPT 82/4885 |
“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.