Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16294303 | 0.83 | CDC25A (0.40) | TDP1ALDH1A1MAPTPTGS2KDM4E | |
| SCHEMBL3204629 | 0.81 | CCNA2 (0.34) | TDP1ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL5698142 | 0.79 | AGTR1 (0.50) | TDP1ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL8152713 | 0.76 | MAOA (0.33) | — | |
| SCHEMBL7565859 | 0.75 | KDM4E (0.44) | TDP1ALDH1A1HSD17B10PTGS2LMNA | |
| SCHEMBL97108 | 0.75 | HSD17B10 (0.48) | TDP1ALDH1A1MAPTHSD17B10NAPRT | |
| SCHEMBL7795577 | 0.73 | CA12 (0.42) | ALDH1A1MAPTHSD17B10LMNAKDM4E | |
| SCHEMBL8118545 | 0.71 | CA1 (0.45) | ALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL3121567 | 0.71 | FFAR1 (0.34) | ALDH1A1HSD17B10KMT2AHTTSMN1; SMN2 | |
| SCHEMBL1355267 | 0.71 | KDM4E (0.42) | ALDH1A1MAPTLMNAL3MBTL1KDM4E |
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-6800630-B2 | CYTOSTATIC ACTIVITY, INHIBITORY ACTIVITY AGAINST A SIGNAL DERIVED FROM RAS ONCOGENE PRODUCTS | SHIONOGI & CO., LTD. (JP) | 2004-10-05 | — | — | US | disclosed |
| EP-1251129-B1 | PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT | SHIONOGI & CO (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-20030203894-A1 | Pyrimidine derivatives having antitumor effect | SHIONOGI & CO., LTD. (JP) | 2003-10-30 | — | — | US | disclosed |
| EP-1251129-A1 | PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT | SHIONOGI & CO., LTD. (JP) | 2002-10-23 | — | — | EP | disclosed |
| US-4139537-A | 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds | COOPER LABORATORIES, INC. (US) | 1979-02-13 | — | — | 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-20030203894-A1 | Pyrimidine derivatives having antitumor effect | TYMS, TYMP, RRM1 | TDP1 1260/4885ALDH1A1 1562/4885ADORA3 544/4885 |
“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.