Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3727645 | 0.75 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL3727651 | 0.75 | ABCB1 (0.37) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL5064967 | 0.72 | BACE1 (0.51) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL402138 | 0.71 | KMT2A (0.42) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL12185923 | 0.71 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL2597771 | 0.69 | KMT2A (0.46) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL2597772 | 0.69 | KMT2A (0.46) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL3722430 | 0.69 | ALDH1A1 (0.44) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL2597715 | 0.69 | KMT2A (0.41) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL2598054 | 0.68 | KMT2A (0.45) | LMNAKMT2AMEN1MAPTHTT |
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-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | disclosed |
| US-7625948-B2 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-20050075367-A1 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-04-07 | — | — | 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-20050075367-A1 | Ester compound and medicinal use thereof | LIPC, CES1, MTTP | ALDH1A1 564/4885LMNA 2248/4885KMT2A 2890/4885 |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | LIPC, CES1, MTTP | ALDH1A1 603/4885LMNA 2365/4885KMT2A 3106/4885 |
“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.