Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17363444 | 0.91 | CA14 (0.40) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL17363437 | 0.89 | CA14 (0.43) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL15942002 | 0.88 | CA14 (0.42) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL23624143 | 0.88 | KMT2A (0.40) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL15948352 | 0.87 | ALDH1A1 (0.33) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL25247476 | 0.86 | CA14 (0.41) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL31739752 | 0.86 | ALDH1A1 (0.37) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL3020149 | 0.85 | CA14 (0.49) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL956549 | 0.84 | ALDH1A1 (0.42) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 | |
| SCHEMBL2499626 | 0.84 | CA14 (0.50) | CA14ALDH1A1HDAC6L3MBTL1HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013013240-A2 | MACROCYCLIC COMPOUNDS AND RELATED COMPOSITONS AND METHODS OF USE | THERACRINE, INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| US-6812235-B2 | 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-11-02 | — | — | US | disclosed |
| US-20030018193-A1 | Beta-alanine derivatives and their use as receptor anatgonists | ASTELLAS PHARMA INC. (JP) | 2003-01-23 | — | — | US | disclosed |
| EP-1255748-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060813-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-23 | — | — | WO | 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-20030018193-A1 | Beta-alanine derivatives and their use as receptor anatgonists | ARRB1, ADRB1, GLRB | CA14 1446/4885ALDH1A1 578/4885HDAC6 3137/4885 |
“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.