Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13444587 | 0.78 | TSHR (0.35) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL8274241 | 0.77 | KMT2A (0.39) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL1654471 | 0.75 | PARP1 (0.38) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL1655936 | 0.75 | ATM (0.36) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL8272970 | 0.74 | ATM (0.37) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL12779577 | 0.74 | CYP1A2 (0.44) | ALDH1A1CYP1A2KDM4EMAPTCYP2C9 | |
| SCHEMBL13409382 | 0.71 | ATM (0.38) | ALDH1A1CYP1A2KDM4EMAPTCYP2C9 | |
| SCHEMBL13444589 | 0.70 | ACHE (0.46) | ALDH1A1CYP1A2KDM4ECYP2D6MAPT | |
| SCHEMBL12510087 | 0.69 | — | — | |
| SCHEMBL8274129 | 0.68 | KDM4E (0.41) | ALDH1A1CYP1A2KDM4EMAPTHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |