Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | HPN | P05981 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | MEF2D | Q14814 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174395 | 0.88 | ALDH1A1 (0.48) | ALDH1A1TSHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL3507991 | 0.86 | ALDH1A1 (0.45) | ALDH1A1TSHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL4160412 | 0.84 | HTT (0.46) | ALDH1A1TSHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL4166185 | 0.82 | NPC1 (0.42) | ALDH1A1TSHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL4158976 | 0.82 | HDAC4 (0.53) | ALDH1A1TSHRKMT2AHDAC4MEF2D | |
| SCHEMBL4165005 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL4162559 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL4156189 | 0.79 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4152045 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL5125020 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRKMT2ASMN1; SMN2POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054448-A1 | Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors | JONES PHILIP | 2009-02-26 | — | — | US | disclosed |
| EP-1945609-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007029036-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | 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-20090054448-A1 | Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors | HDAC5, HDAC1, HDAC11 | ALDH1A1 320/4885TSHR 1377/4885NPC1 1625/4885 |
“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.