Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16923784 | 0.80 | CYP2C19 (0.50) | CYP2C19ALDH1A1LMNAKDM4ECYP1A2 | |
| SCHEMBL15229024 | 0.75 | AAK1 (0.55) | AAK1 | |
| SCHEMBL30783168 | 0.75 | AAK1 (0.55) | AAK1 | |
| SCHEMBL5254693 | 0.73 | S1PR1 (0.36) | AAK1ALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL21718950 | 0.73 | S1PR1 (0.38) | AAK1ALDH1A1RAB9AKDM4EKMT2A | |
| SCHEMBL289542 | 0.71 | OPRK1 (0.44) | OPRK1 | |
| SCHEMBL31034272 | 0.71 | HSD17B10 (0.35) | CYP2C19AAK1ALDH1A1RAB9ALMNA | |
| SCHEMBL2124914 | 0.71 | CYP2C19 (0.44) | CYP2C19ALDH1A1LMNAKDM4ECYP1A2 | |
| SCHEMBL22770846 | 0.70 | S1PR1 (0.36) | AAK1ALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL15118634 | 0.69 | ALDH1A1 (0.40) | CYP2C19ALDH1A1RAB9ALMNAKDM4E |
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-20160333007-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-11-17 | — | — | 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-20160333007-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | CYP2C19 3168/4885AAK1 2420/4885ALDH1A1 3491/4885 |
“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.