Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1625912 | 0.81 | CYP1A2 (0.69) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL9323520 | 0.81 | CYP1A2 (0.69) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL31001012 | 0.81 | PDGFRB (0.53) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL1626207 | 0.81 | PDGFRB (0.53) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL29100171 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL695751 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL695556 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL30933154 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4L3MBTL1TSHR | |
| SCHEMBL10139118 | 0.76 | ALDH1A1 (0.64) | ALDH1A1TDP1CYP3A4TSHRCYP1A2 | |
| SCHEMBL11188405 | 0.76 | ALDH1A1 (0.64) | ALDH1A1TDP1CYP3A4TSHRCYP1A2 |
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-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | MERCK PATENT GMBH (DE) | 2003-09-11 | — | — | 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-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | ALDH1A1 63/4885TDP1 2738/4885CYP3A4 212/4885 |
“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.