Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PLA2G4A | P47712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11320951 | 0.94 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL5157418 | 0.94 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL6538743 | 0.91 | NPC1 (0.52) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL6539244 | 0.86 | NPC1 (0.65) | ALDH1A1NPC1RAB9ATRPM8 | |
| SCHEMBL9309350 | 0.82 | NPC1 (0.59) | NPC1RAB9APOLBLMNAMAPT | |
| SCHEMBL6539252 | 0.81 | POLB (0.49) | NPC1RAB9APOLBTRPM8USP2 | |
| SCHEMBL11320430 | 0.80 | MEN1 (0.52) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL6538464 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL11192482 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL510500 | 0.76 | ALDH1A1 (0.73) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 |
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 | ALDH1A1 578/4885NPC1 1562/4885RAB9A 943/4885 |
“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.