Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 5/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 5/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 5/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL18796247 | 0.75 | CA12 (0.37) | CA12CA9CA1CA2PARP1 | |
| SCHEMBL9025634 | 0.74 | ALDH1A1 (0.59) | ALDH1A1AKR1C3AKR1C2AKR1C1CA12 | |
| SCHEMBL279914 | 0.74 | CYP11B1 (0.44) | CYP11B1CYP11B2PARP1NR3C2SMN1; SMN2 | |
| SCHEMBL29561576 | 0.74 | CYP11B1 (0.44) | CYP11B1CYP11B2PARP1NR3C2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30693477 | 0.72 | CYP11B1 (0.43) | CYP11B1CYP11B2PARP1NR3C2SMN1; SMN2 | |
| SCHEMBL31111396 | 0.70 | SSTR4 (0.40) | PDE1APDE1BPDE1CMAOBSMN1; SMN2 | |
| SCHEMBL10199987 | 0.70 | SSTR4 (0.40) | PDE1APDE1BPDE1CMAOBSMN1; SMN2 | |
| SCHEMBL1253734 | 0.69 | CA12 (0.38) | ALDH1A1AKR1C3AKR1C2AKR1C1CA12 | |
| SCHEMBL299664 | 0.69 | PDE3B (0.41) | ALDH1A1AKR1C3AKR1C2AKR1C1CA12 | |
| Hydrochloric Acid SCHEMBL2110952 | 0.69 | SSTR4 (0.39) | ALDH1A1PDE1APDE1BPDE1CMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130281435-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-10-24 | — | — | US | disclosed |
| US-20110136788-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-09 | — | — | US | 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 (2 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-20110136788-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | GPBAR1, GPR35, GRPR | ALDH1A1 2996/4885AKR1C3 792/4885AKR1C2 697/4885 |
| US-20130281435-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | GPBAR1, GPR35, GRPR | ALDH1A1 3137/4885AKR1C3 797/4885AKR1C2 704/4885 |
“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.