Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15096236 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL26896049 | 0.78 | P2RX7 (0.43) | P2RX7KMT2AMEN1GAACES1 | |
| SCHEMBL24267395 | 0.74 | P2RX7 (0.44) | P2RX7ALDH1A1KMT2AMEN1CES1 | |
| SCHEMBL15096233 | 0.71 | KMT2A (0.48) | ALDH1A1KMT2AMEN1GAAHSD17B10 | |
| SCHEMBL15096231 | 0.71 | P2RX7 (0.44) | P2RX7ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL15096235 | 0.69 | NAMPT (0.43) | ALDH1A1KMT2AGAAHSD17B10HPGD | |
| SCHEMBL23586567 | 0.69 | — | — | |
| SCHEMBL15096230 | 0.69 | HCAR2 (0.39) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL14152209 | 0.68 | P2RX7 (0.51) | P2RX7KMT2AMEN1CES1LMNA | |
| SCHEMBL16259081 | 0.67 | GOT1 (0.48) | — |
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-8975232-B2 | Macrocyclic kinase inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-10 | — | — | US | disclosed |
| US-20130178429-A1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-07-11 | — | — | 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-20130178429-A1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | MAP3K20, MAP3K11, MAP3K1 | P2RX7 2779/4885ALDH1A1 3932/4885KMT2A 845/4885 |
“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.