Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL830225 | 0.86 | MIF (0.59) | CYP3A4ALDH1A1BLMMIFMEN1 | |
| SCHEMBL1138666 | 0.86 | MIF (0.42) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| SCHEMBL2298437 | 0.85 | CYP2C19 (0.55) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| SCHEMBL1138684 | 0.85 | CYP2C19 (0.55) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| SCHEMBL1143912 | 0.85 | CYP2C19 (0.55) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| SCHEMBL7732423 | 0.84 | MIF (0.41) | ALDH1A1MIFMEN1CYP1A2KMT2A | |
| Hydrochloric Acid SCHEMBL1144491 | 0.84 | CYP2C19 (0.53) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL8538776 | 0.84 | CYP2C19 (0.53) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL350882 | 0.84 | CYP2C19 (0.53) | MIFMEN1CYP1A2KMT2ACYP2C19 | |
| SCHEMBL9550959 | 0.82 | ESR1 (0.60) | ESR1ESR2CYP3A4ALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | ESR1 1430/4885ESR2 263/4885CYP3A4 1573/4885 |
“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.