Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310009 | 0.86 | GPR39 (0.45) | GPR39ALDH1A1MAPTCYP1A2CYP2C9 | |
| SCHEMBL24330885 | 0.84 | TDP1 (0.34) | MAPTPOLBKDM4ENPC1RAB9A | |
| SCHEMBL24330653 | 0.84 | FFAR1 (0.38) | CYP1A2 | |
| SCHEMBL24309507 | 0.84 | CYP1A2 (0.35) | GPR39F10MAPTCYP1A2CYP2C9 | |
| SCHEMBL24330884 | 0.81 | F10 (0.40) | GPR39F10 | |
| SCHEMBL24310447 | 0.78 | USP1 (0.33) | GPR39ALDH1A1 | |
| SCHEMBL29457761 | 0.77 | SMN1; SMN2 (0.45) | ALDH1A1CYP3A4MAPTPOLB | |
| SCHEMBL24298133 | 0.77 | SMN1; SMN2 (0.45) | ALDH1A1CYP3A4MAPTPOLB | |
| SCHEMBL24310347 | 0.76 | GPR39 (0.39) | GPR39ALDH1A1MAPTCYP1A2CYP2C9 | |
| SCHEMBL24310766 | 0.73 | GPR39 (0.44) | GPR39ALDH1A1MAPTCYP1A2CYP2C9 |
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-2022076621-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |