Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 4/20 | 0.50 |
| ▸ | PPARG | P37231 | 3/20 | 0.50 |
| ▸ | PPARD | Q03181 | 3/20 | 0.50 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199035 | 0.90 | MAPT (0.57) | ALDH1A1SMN1; SMN2KLKB1PPARAPPARG | |
| SCHEMBL12875928 | 0.87 | KLKB1 (0.56) | ALDH1A1SMN1; SMN2KLKB1PPARDMAPT | |
| SCHEMBL1198412 | 0.87 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KLKB1PPARAPPARG | |
| SCHEMBL1198840 | 0.86 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PPARAPPARGPPARD | |
| SCHEMBL1198826 | 0.86 | KMT2A (0.48) | ALDH1A1SMN1; SMN2KLKB1PPARAPPARG | |
| SCHEMBL1198348 | 0.83 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2PPARAPPARGEGLN1 | |
| SCHEMBL1198880 | 0.83 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2PPARAPPARGEGLN1 | |
| SCHEMBL1198845 | 0.81 | MEN1 (0.47) | ALDH1A1SMN1; SMN2EGLN1MAPTMEN1 | |
| SCHEMBL1198763 | 0.81 | MEN1 (0.47) | ALDH1A1SMN1; SMN2EGLN1MAPTMEN1 | |
| SCHEMBL1198292 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2PPARAPPARGPPARD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | ALDH1A1 1037/4885SMN1; SMN2 2057/4885KLKB1 3765/4885 |
“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.