Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.82 |
| ▸ | MAPT | P10636 | 6/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.75 |
| ▸ | THRB | P10828 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.73 |
| ▸ | RAB9A | P51151 | 3/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.71 |
| ▸ | MEN1 | O00255 | 5/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | F2 | P00734 | 1/20 | 0.71 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.69 |
| ▸ | PARP1 | P09874 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL12301211 | 0.96 | ADORA3 (0.76) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL2753298 | 0.90 | ADORA3 (1.00) | ADORA3MAPTALDH1A1KDM4ERAB9A | |
| SCHEMBL13357578 | 0.89 | PARP1 (0.70) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL24107409 | 0.88 | ADORA3 (0.79) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL24107415 | 0.88 | ADORA3 (0.74) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL16607129 | 0.86 | ADORA3 (0.75) | ADORA3MAPTALDH1A1KDM4ERAB9A | |
| SCHEMBL1883429 | 0.86 | PARP1 (0.74) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL24107513 | 0.85 | ADORA3 (0.74) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL27986439 | 0.85 | MAPT (0.62) | ADORA3MAPTALDH1A1THRBKDM4E | |
| SCHEMBL12301022 | 0.85 | LMNA (0.75) | ADORA3MAPTALDH1A1THRBKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| WO-2009114552-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2009-09-17 | — | — | 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-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | VHL, TP53, BECN1 | ADORA3 3596/4885MAPT 2506/4885ALDH1A1 1737/4885 |
“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.