Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.41 |
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8993316 | 0.75 | S100A4 (0.41) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL30633032 | 0.75 | S100A4 (0.41) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL29721914 | 0.70 | S100A4 (0.37) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL30633075 | 0.70 | HTR2B (0.40) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL19514779 | 0.70 | CYP1A2 (0.42) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL113826 | 0.70 | S100A4 (0.37) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL18748423 | 0.70 | S100A4 (0.41) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL8993321 | 0.70 | HTR2B (0.40) | S100A4PPOXAHRHTR2BCHRNB2 | |
| SCHEMBL28907669 | 0.70 | CYP1A2 (0.46) | S100A4AHRHTR2BTP53CYP1A2 | |
| SCHEMBL9542340 | 0.67 | CYP1A2 (0.44) | S100A4PPOXAHRHTR2BCHRNB2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009067541-A2 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-05-28 | — | — | WO | disclosed |
| EP-1641762-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-05 | — | — | EP | disclosed |
| EP-1567494-A1 | METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2005005393-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004050623-A1 | METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2004-06-17 | — | — | WO | disclosed |