Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 14/20 | 0.58 |
| ▸ | TPH2 | Q8IWU9 | 11/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19827284 | 0.87 | TPH1 (0.55) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL19827204 | 0.83 | TPH1 (0.59) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL21027845 | 0.77 | TPH1 (0.57) | TPH1TPH2 | |
| SCHEMBL19810115 | 0.73 | TPH1 (1.00) | TPH1TPH2 | |
| SCHEMBL21027610 | 0.72 | TPH2 (0.63) | TPH1TPH2SMN1; SMN2 | |
| SCHEMBL22105455 | 0.69 | KMT2A (0.33) | TSHRALDH1A1HPGDSMN1; SMN2HTT | |
| SCHEMBL22105567 | 0.66 | TSHR (0.45) | TSHRALDH1A1SMN1; SMN2TDP1GAA | |
| SCHEMBL21027606 | 0.66 | TPH1 (0.63) | TPH1TPH2 | |
| SCHEMBL21316270 | 0.63 | F11 (0.37) | ALDH1A1NPC1TDP1MAPT | |
| SCHEMBL5958170 | 0.61 | TRPA1 (0.73) | TPH1TPH2TSHRALDH1A1HPGD |
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-10683309-B2 | Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2020-06-16 | — | — | US | disclosed |
| US-20190161503-A1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2019-05-30 | — | — | 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-10683309-B2 | Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same | TPH1, XDH, TPH2 | TPH1 1/4885TPH2 3/4885TSHR 1442/4885 |
| US-20190161503-A1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | TPH1, XDH, TPH2 | TPH1 1/4885TPH2 3/4885TSHR 1442/4885 |
“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.