Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL12264096 | 0.84 | CYP2A6 (0.36) | BRAFCYP2A6HDAC1PARP1CDK9 | |
| SCHEMBL2545743 | 0.77 | KLK7 (0.41) | HRH1MAPTKDM4ETP53TDP1 | |
| SCHEMBL2550128 | 0.75 | PIK3CD (0.45) | — | |
| SCHEMBL12196947 | 0.74 | PIK3CD (0.37) | BRAFCYP2A6HDAC1PARP1MAPT | |
| SCHEMBL2505110 | 0.74 | PIK3CD (0.37) | BRAFCYP2A6HDAC1PARP1MAPT | |
| SCHEMBL108241 | 0.67 | GABRG2 (0.47) | CYP2A6HDAC1MAPTKDM4ETP53 | |
| Dipyridyl SCHEMBL16445111 | 0.62 | KDM4E (0.74) | HRH1CYP2A6MAPTKDM4ETP53 | |
| SCHEMBL840433 | 0.62 | RAD51 (0.50) | BRAFPARP1CDK9MAPTKDM4E | |
| SCHEMBL21209650 | 0.61 | CYP2A6 (0.47) | BRAFCYP2A6HDAC1MAPTKDM4E | |
| Dipyridyl SCHEMBL10405168 | 0.61 | KDM4E (0.70) | HRH1CYP2A6MAPTKDM4ETP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552908-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | Amgen Inc. (US) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123751-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | AMGEN INC. (US) | 2011-10-06 | — | — | WO | disclosed |