Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27371818 | 0.81 | TSHR (0.53) | MAPTCYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL6233391 | 0.81 | MAPT (0.51) | MAPTCYP2C9CYP2C19TSHRHCAR3 | |
| SCHEMBL17069361 | 0.80 | MAPT (0.50) | MAPTCYP2C9CYP2C19KMT2APOLB | |
| SCHEMBL3369108 | 0.80 | MAPT (0.50) | MAPTCYP2C9CYP2C19TSHRHCAR3 | |
| SCHEMBL899216 | 0.80 | MAPT (0.50) | MAPTCYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL12582009 | 0.79 | KMT2A (0.42) | HCAR3RXRARXRBKMT2AALOX15 | |
| SCHEMBL2121557 | 0.76 | ALDH1A1 (0.47) | MAPTCYP2C9CYP2C19POLBALOX15 | |
| SCHEMBL12845747 | 0.73 | HCAR2 (0.47) | CYP2C9CYP2C19HCAR3P4HTMKMT2A | |
| SCHEMBL6359091 | 0.72 | KMT2A (0.48) | MAPTCYP2C9CYP2C19TSHRKMT2A | |
| SCHEMBL8881108 | 0.71 | TSHR (0.53) | MAPTCYP2C9CYP2C19TSHRP4HTM |
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-2012042433-A1 | N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS | PFIZER INC. (US) | 2012-04-05 | — | — | WO | disclosed |