Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5399793 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5402458 | 0.99 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5399261 | 0.95 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5402442 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5399508 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5409780 | 0.93 | CHRNB2 (0.56) | ALDH1A1HPGDCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5409176 | 0.93 | MAPK1 (0.50) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5413978 | 0.93 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 | |
| SCHEMBL5416741 | 0.92 | TP53 (0.49) | ALDH1A1HPGDKDM4EHDAC1HDAC6 | |
| SCHEMBL5408973 | 0.92 | NR1H4 (0.52) | ALDH1A1HPGDKDM4ECHRNB2CHRNB4 |
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-7285680-B2 | β-alanine derivatives and the use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-10-23 | — | — | US | disclosed |
| US-20050256160-A1 | Beta-alanine derivatives and the use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-11-17 | — | — | US | disclosed |
| EP-1533294-A1 | BETA-ALANINE DERIVATIVE AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-05-25 | — | — | EP | 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-20050256160-A1 | Beta-alanine derivatives and the use thereof | TGFB1, PML, APOB | ALDH1A1 1256/4885HPGD 1078/4885KDM4E 4680/4885 |
“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.