Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 7/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15637371 | 0.83 | CYP2A6 (0.56) | TSHRCYP2A6 | |
| SCHEMBL4456546 | 0.80 | AHR (0.64) | AHRCNR2NOTUMIDO1CNR1 | |
| SCHEMBL15636896 | 0.79 | CNR2 (0.41) | AHRCNR2NOTUMIDO1CNR1 | |
| SCHEMBL4456479 | 0.78 | AHR (0.45) | AHRCNR2NOTUMIDO1CNR1 | |
| SCHEMBL1815223 | 0.76 | GRIA1 (0.40) | AHRCNR1TSHRCYP2A6CYP2D6 | |
| SCHEMBL31339486 | 0.75 | AHR (0.42) | AHRCNR2NOTUMIDO1CNR1 | |
| SCHEMBL440943 | 0.74 | TSHR (0.52) | CNR2NOTUMIDO1TSHRCYP2A6 | |
| SCHEMBL29489437 | 0.73 | CYP2A6 (0.68) | CNR2NOTUMIDO1TSHRCYP2A6 | |
| SCHEMBL1250242 | 0.73 | CYP2A6 (0.68) | CNR2NOTUMIDO1TSHRCYP2A6 | |
| SCHEMBL533595 | 0.72 | CNR2 (0.46) | CNR2NOTUMIDO1CNR1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235595-B8 | INTEGRIN-MEDIATED DRUG TARGETING | BAYER SCHERING PHARMA AG (DE) | 2009-10-07 | — | — | EP | claimed |
| EP-1235595-A2 | INTEGRIN-MEDIATED DRUG TARGETING | Bayer Aktiengesellschaft (DE) | 2002-09-04 | — | — | EP | claimed |
| WO-2001017563-A2 | INTEGRIN-MEDIATED DRUG TARGETING | BAYER AKTIENGESELLSCHAFT (DE) | 2001-03-15 | — | — | WO | claimed |