Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21434742 | 0.86 | NPC1 (0.44) | ALDH1A1KDM4EPDK1PDK2PDK3 | |
| SCHEMBL6948700 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10POLBATM | |
| SCHEMBL27248537 | 0.82 | HCRTR1 (0.50) | ALDH1A1KDM4EHSD17B10PDK1PDK2 | |
| SCHEMBL11128708 | 0.80 | POLB (0.48) | ALDH1A1KDM4EHSD17B10POLBATM | |
| SCHEMBL21725198 | 0.79 | ACACB (0.42) | ALDH1A1KDM4EHSD17B10PDK1PDK2 | |
| SCHEMBL27249087 | 0.78 | JAK2 (0.59) | ALDH1A1KDM4EHSD17B10PDK1PDK2 | |
| SCHEMBL11128965 | 0.77 | ABL1 (0.51) | SLC6A3HPGDLMNASLC6A4MRGPRX4 | |
| SCHEMBL11129614 | 0.77 | ABL1 (0.48) | ALDH1A1SLC6A3LMNASLC6A4TSHR | |
| SCHEMBL2192561 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10POLBATM | |
| SCHEMBL2861153 | 0.76 | PDK1 (0.45) | ALDH1A1KDM4EHSD17B10POLBATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2184285-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-11-04 | — | — | EP | disclosed |
| US-8344135-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2184285-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-05-12 | — | — | 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-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | BRAF, NRAS, RAF1 | ALDH1A1 625/4885KDM4E 1242/4885HSD17B10 2074/4885 |
“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.