Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GPR39 | O43194 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310579 | 0.80 | RORC (0.35) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL29567001 | 0.80 | MAPT (0.50) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24310303 | 0.80 | MAPT (0.50) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24310314 | 0.80 | RORC (0.35) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24309752 | 0.79 | MAPK1 (0.57) | CYP1A2CYP2C19TDP1MAPK1AGTR1 | |
| SCHEMBL24310289 | 0.76 | AGTR1 (0.46) | KDM4ELMNANPSR1TDP1MAPK1 | |
| SCHEMBL24310009 | 0.76 | GPR39 (0.45) | KDM4ELMNACYP1A2CYP2C19NPSR1 | |
| SCHEMBL24309309 | 0.75 | KDM4E (0.34) | BRD4KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL24310546 | 0.74 | MAPK1 (0.49) | KDM4ECYP1A2CYP2C19TDP1MAPK1 | |
| SCHEMBL11289134 | 0.74 | AGTR1 (0.56) | CYP1A2CYP2C19NPSR1TDP1AGTR1 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |