Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL899006 | 0.84 | NPC1 (0.65) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL23271755 | 0.77 | SMN1; SMN2 (0.47) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL20888346 | 0.76 | LMNA (0.46) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL28379547 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL30003171 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL19879775 | 0.74 | ESR1 (0.41) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL9642148 | 0.71 | IDO1 (0.52) | ALDH1A1LMNANPC1RAB9AMAPT | |
| SCHEMBL22166505 | 0.70 | ESR1 (0.37) | ALDH1A1NPC1RAB9AMAPTL3MBTL1 | |
| SCHEMBL22986135 | 0.70 | RAB9A (0.43) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL20052231 | 0.70 | CA1 (0.39) | ALDH1A1NPC1RAB9AMAPTL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11345950-B2 | Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same | BATTELLE MEMORIAL INSTITUTE (US) | 2022-05-31 | — | — | US | disclosed |
| US-20190100792-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | BATTELLE MEMORIAL INSTITUTE | 2019-04-04 | — | — | 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 (2 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-11345950-B2 | Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same | CYP2E1, CYP1A1, CYP7A1 | ALDH1A1 150/4885LMNA 4217/4885NPC1 1168/4885 |
| US-20190100792-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | CYP2E1, CYP1A1, CYP7A1 | ALDH1A1 150/4885LMNA 4217/4885NPC1 1168/4885 |
“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.