Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12535900 | 0.82 | TSHR (0.69) | SIGMAR1KMT2AATMCYP2D6CYP2C19 | |
| SCHEMBL7953079 | 0.81 | ATM (0.85) | KMT2AATMCYP2D6CYP2C19CACNA1G | |
| SCHEMBL22639683 | 0.81 | ATM (0.85) | KMT2AATMCYP2D6CYP2C19CACNA1G | |
| SCHEMBL15445826 | 0.80 | MAPT (0.62) | SIGMAR1KMT2AKCNH2MAPT | |
| SCHEMBL11745028 | 0.79 | ATM (0.75) | KMT2AATMCYP2D6CYP2C19CACNA1G | |
| SCHEMBL491551 | 0.78 | ABCB1 (0.78) | KMT2AATMCYP2D6KDM4EPOLB | |
| SCHEMBL11738962 | 0.78 | ATM (0.78) | KMT2AATMCYP2D6CYP2C19CACNA1G | |
| SCHEMBL491548 | 0.78 | ABCB1 (0.78) | KMT2AATMCYP2D6KDM4EPOLB | |
| SCHEMBL11744068 | 0.78 | ATM (0.78) | KMT2AATMCYP2D6CYP2C19CACNA1G | |
| SCHEMBL5663771 | 0.75 | SIGMAR1 (0.53) | SIGMAR1KMT2ACACNA1GKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011008666-A2 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-20 | — | — | WO | disclosed |