Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PRF1 | P14222 | 1/20 | 0.40 |
| ▸ | IL2 | P60568 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3090142 | 0.88 | JAK2 (0.39) | ALDH1A1SMN1; SMN2JAK2PRF1MAPT | |
| SCHEMBL3102075 | 0.82 | RAB9A (0.46) | ALDH1A1SMN1; SMN2KMT2AMAPTMEN1 | |
| SCHEMBL12876562 | 0.81 | HSD17B1 (0.40) | ALDH1A1SMN1; SMN2HDAC6KMT2AMAPT | |
| SCHEMBL13140465 | 0.80 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 | |
| SCHEMBL1198680 | 0.77 | HDAC6 (0.44) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 | |
| SCHEMBL19189118 | 0.77 | BACE1 (0.47) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 | |
| SCHEMBL24951797 | 0.75 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 | |
| SCHEMBL29742895 | 0.75 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 | |
| SCHEMBL18003529 | 0.75 | RORC (0.44) | ALDH1A1SMN1; SMN2MAPTIKBKBBRD4 | |
| SCHEMBL29742821 | 0.74 | JAK2 (0.50) | ALDH1A1SMN1; SMN2HDAC6JAK2IL2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102056907-B | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2014-12-31 | — | — | CN | disclosed |
| 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 |
| CN-102056907-A | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-11 | — | — | CN | 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 |
| WO-2009123316-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2009-10-08 | — | — | 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | ALDH1A1 1037/4885SMN1; SMN2 2057/4885HDAC6 2096/4885 |
“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.