Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.43 |
| ▸ | ABAT | P80404 | 2/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17677417 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HPGDTDP1TSHRKDM4E | |
| SCHEMBL25218257 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 | |
| SCHEMBL28139530 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 | |
| SCHEMBL79533 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHR | |
| SCHEMBL28033399 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHR | |
| SCHEMBL15990409 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 | |
| SCHEMBL47357 | 0.76 | CYP2A6 (0.54) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 | |
| SCHEMBL28435221 | 0.73 | ALDH1A1 (0.66) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 | |
| SCHEMBL20442261 | 0.73 | TDP1 (0.38) | ALDH1A1TDP1TSHR | |
| SCHEMBL13459853 | 0.73 | CA12 (0.54) | ALDH1A1AOX1HPGDTSHRTYR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140107166-A1 | HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2014-04-17 | — | — | 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-20140107166-A1 | HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF | HDAC1, HDAC5, HDAC11 | ALDH1A1 364/4885CYP2A6 2798/4885ALDH5A1 309/4885 |
“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.