Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | CDC25B | P30305 | 1/20 | 0.51 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4099062 | 0.78 | NR4A1 (0.57) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| SCHEMBL7440685 | 0.77 | ALDH1A1 (0.53) | NR4A1NR4A2NR4A3CES2CES1 | |
| SCHEMBL4109121 | 0.75 | NR4A1 (0.53) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| SCHEMBL1164084 | 0.75 | NR4A1 (0.63) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| Naphthoic Acid SCHEMBL29352220 | 0.74 | NR4A1 (1.00) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| Naphthoic Acid SCHEMBL28110155 | 0.74 | NR4A1 (1.00) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| Naphthoic Acid SCHEMBL30233567 | 0.74 | NR4A1 (1.00) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| Naphthoic Acid SCHEMBL17258 | 0.74 | NR4A1 (1.00) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| SCHEMBL4114028 | 0.74 | PTPN1 (0.54) | NR4A1NR4A2NR4A3PTPN1CDC25B | |
| SCHEMBL1428203 | 0.74 | CES2 (0.50) | CES2CES1L3MBTL1ALDH1A1KMT2A |
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 | NR4A1 4083/4885NR4A2 1614/4885NR4A3 3211/4885 |
“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.