Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 6/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9035301 | 0.86 | CYP2C19 (0.34) | ALDH1A1MEN1KMT2ATSHRTDP1 | |
| SCHEMBL16391277 | 0.84 | CYP2C19 (0.40) | ALDH1A1MEN1KMT2AATMTSHR | |
| SCHEMBL875700 | 0.84 | CYP2C19 (0.40) | ALDH1A1MEN1KMT2AATMTSHR | |
| SCHEMBL7722193 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AATMTSHR | |
| SCHEMBL4812312 | 0.79 | CYP2C19 (0.43) | ALDH1A1MEN1KMT2AATMTSHR | |
| SCHEMBL14498565 | 0.76 | ALDH1A1 (0.33) | ALDH1A1TSHRL3MBTL1HPGDSMN1; SMN2 | |
| SCHEMBL23199851 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AATMTSHR | |
| SCHEMBL19388527 | 0.75 | GRIN2D (0.34) | TSHRLMNACYP1A2 | |
| SCHEMBL7550154 | 0.75 | NPSR1 (0.41) | MEN1KMT2ATSHRCYP2C19SMN1; SMN2 | |
| SCHEMBL28218027 | 0.75 | NPSR1 (0.41) | MEN1KMT2ATSHRCYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8871774-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-28 | — | — | US | disclosed |
| WO-2012083121-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |