Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 14/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 14/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 12/20 | 0.57 |
| ▸ | CCNB3 | Q8WWL7 | 12/20 | 0.57 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.53 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.53 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | HCK | P08631 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15214876 | 0.87 | ADORA2A (0.54) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL10176277 | 0.83 | PI4KA (0.50) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL10227480 | 0.83 | ADORA2A (0.50) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL18751223 | 0.76 | ADORA2A (0.64) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL17087525 | 0.72 | PIK3CA (0.71) | PIK3CAMTOR | |
| SCHEMBL2476927 | 0.71 | TNK2 (0.44) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL784393 | 0.71 | ADORA2A (0.66) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL31331738 | 0.69 | ADORA2A (0.64) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL2475932 | 0.69 | ADORA2A (0.64) | CDK1CCNB1CCNB2CCNB3PI4KB | |
| SCHEMBL5403761 | 0.69 | ADORA2A (0.64) | CDK1CCNB1CCNB2CCNB3PI4KB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373163-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-06-10 | — | — | EP | disclosed |
| EP-2373163-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-06-10 | — | — | EP | disclosed |
| CN-102316733-B | Heterocyclic compounds and methods of use | GENENTECH INC | 2014-01-01 | — | — | CN | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| CN-102316733-A | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INST MEDICAL W & E HALL | 2012-01-11 | — | — | CN | disclosed |
| EP-2373163-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-10-12 | — | — | EP | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2010-08-19 | — | — | US | disclosed |
| WO-2010080503-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010080503-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-07-15 | — | — | 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-20100210622-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | BCL2A1, BAX, BCL2 | CDK1 216/4885CCNB1 67/4885CCNB2 65/4885 |
“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.