Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2124914 | 0.89 | CYP2C19 (0.44) | CYP2C19NPSR1GAAPOLBLMNA | |
| SCHEMBL16916752 | 0.85 | CYP2C19 (0.36) | CYP2C19NPSR1GAAPOLBLMNA | |
| SCHEMBL16916748 | 0.85 | CYP2C19 (0.36) | CYP2C19NPSR1GAAPOLBLMNA | |
| SCHEMBL18235427 | 0.80 | CYP2C19 (0.40) | CYP2C19LMNACYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL30276192 | 0.78 | THRB (0.40) | CYP2C19NPSR1GAAPOLBLMNA | |
| SCHEMBL26110877 | 0.78 | THRB (0.40) | CYP2C19NPSR1GAAPOLBLMNA | |
| SCHEMBL28813054 | 0.76 | ALDH1A1 (0.39) | NPSR1GAAPOLBLMNASMN1; SMN2 | |
| SCHEMBL29175539 | 0.76 | SMN1; SMN2 (0.36) | CYP2C19GAAPOLBLMNACYP1A2 | |
| SCHEMBL29060088 | 0.76 | MAPT (0.42) | CYP2C19GAAPOLBLMNACYP1A2 | |
| SCHEMBL30404195 | 0.75 | NPSR1 (0.65) | CYP2C19NPSR1GAAPOLBABCB1 |
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-20160333007-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-11-17 | — | — | US | disclosed |
| WO-2015108881-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-23 | — | — | 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-20160333007-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | CYP2C19 3168/4885NPSR1 459/4885GAA 412/4885 |
“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.