Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 3/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 5/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | HTT | P42858 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.68 |
| ▸ | NAMPT | P43490 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL396700 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL5307006 | 0.82 | CYP3A4 (0.80) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL395949 | 0.80 | MAPK1 (0.67) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL6178010 | 0.80 | CYP3A4 (0.74) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL5717083 | 0.80 | CYP3A4 (0.77) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL9544951 | 0.80 | LMNA (0.69) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL11959680 | 0.79 | CYP3A4 (0.68) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL13036465 | 0.79 | CYP3A4 (0.68) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL3456302 | 0.77 | AKR1C3 (0.77) | ALDH1A1ADRB2TSHRKMT2AMAPT | |
| SCHEMBL23362097 | 0.76 | ALDH1A1 (0.78) | ALDH1A1ADRB2TSHRKMT2ALMNA |
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-8101580-B2 | Therapeutic agent for irritable bowel syndrome | ASTELLAS PHARMA INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-20090093415-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | ASTELLAS PHARMA INC. (JP) | 2009-04-09 | — | — | US | disclosed |
| EP-1872795-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | Astellas Pharma Inc. (JP) | 2008-01-02 | — | — | 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-20090093415-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | BRS3, VIPR2, BDKRB2 | ALDH1A1 4743/4885ADRB2 120/4885TSHR 1539/4885 |
“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.