Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.74 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RORC | P51449 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14520163 | 0.85 | POLB (0.62) | POLBFFAR2NPSR1SMN1; SMN2ESR2 | |
| SCHEMBL21325740 | 0.85 | POLB (0.74) | POLBSMN1; SMN2ESR2ROCK1KDM4E | |
| SCHEMBL1970389 | 0.76 | POLB (0.56) | POLBNPSR1SMN1; SMN2ESR2KDM4E | |
| SCHEMBL3467104 | 0.74 | L3MBTL1 (0.65) | POLBSMN1; SMN2ESR2CA12CA1 | |
| SCHEMBL2872394 | 0.74 | POLB (0.58) | POLBNPSR1SMN1; SMN2ESR2KDM4E | |
| SCHEMBL15727692 | 0.73 | GLS (0.78) | — | |
| SCHEMBL30195013 | 0.73 | CYP1A2 (0.53) | POLBFFAR2NPSR1SMN1; SMN2KDM4E | |
| SCHEMBL8356392 | 0.73 | POLB (0.56) | POLBNPSR1SMN1; SMN2ESR2KDM4E | |
| SCHEMBL12649504 | 0.73 | POLB (0.60) | POLBSMN1; SMN2ESR2KDM4ECYP1A2 | |
| SCHEMBL13357165 | 0.72 | KDM4E (0.67) | POLBFFAR2SMN1; SMN2ROCK1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |