Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL719471 | 0.94 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDESR1POLB | |
| SCHEMBL720995 | 0.86 | TSHR (0.39) | KDM4EALDH1A1HPGDESR1POLB | |
| SCHEMBL718424 | 0.79 | HSD17B10 (0.41) | CYP2C19KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL720111 | 0.79 | ALDH1A1 (0.43) | CYP2C19KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL719915 | 0.79 | NPC1 (0.45) | KDM4EALDH1A1HPGDPOLBL3MBTL1 | |
| SCHEMBL720656 | 0.77 | NPC1 (0.39) | KDM4EALDH1A1HPGDESR1POLB | |
| SCHEMBL720117 | 0.76 | KMT2A (0.38) | KDM4EALDH1A1HPGDESR1POLB | |
| SCHEMBL719422 | 0.74 | CYP2C19 (0.64) | CYP2C19KDM4EALDH1A1HPGDESR1 | |
| SCHEMBL717996 | 0.74 | TSHR (0.38) | KDM4EALDH1A1HPGDPOLBKMT2A | |
| SCHEMBL3101825 | 0.73 | MMP13 (0.40) | ALDH1A1HPGDKMT2AMEN1SLC6A9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | 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 (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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2C19 946/4885KDM4E 1907/4885ALDH1A1 504/4885 |
“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.