Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16320824 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HDAC8CA12CA1CA2 | |
| SCHEMBL30838204 | 0.82 | BRD4 (0.39) | ALDH1A1HDAC8NR4A2HTR3ASMN1; SMN2 | |
| SCHEMBL20139328 | 0.82 | HDAC8 (0.32) | ALDH1A1HDAC8 | |
| SCHEMBL10565454 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HDAC8SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL4301396 | 0.74 | KMT2A (0.43) | ALDH1A1MAPTKDM4EPOLB | |
| SCHEMBL3387788 | 0.73 | HDAC8 (0.51) | ALDH1A1HDAC8NR4A2CYP1A2CYP2C19 | |
| SCHEMBL4305907 | 0.73 | LMNA (0.38) | ALDH1A1HDAC8LDHAMAPTNOTUM | |
| SCHEMBL24435291 | 0.73 | MAPK10 (0.52) | ALDH1A1HDAC8MAPTBRD4KDM4E | |
| SCHEMBL4308531 | 0.71 | LMNA (0.43) | ALDH1A1CYP1A2CYP2C19MAPTHPGD | |
| SCHEMBL4306412 | 0.71 | KMT2A (0.42) | ALDH1A1HDAC8SMN1; SMN2MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089493-A1 | PYRROLE mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089493-A1 | PYRROLE mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |