Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 3/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.45 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.45 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.40 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14182961 | 0.91 | IDO1 (0.40) | PIM1PIM3PIM2HASPINALDH1A1 | |
| SCHEMBL21232993 | 0.77 | KIF11 (0.50) | PIM1PIM3PIM2HASPINPARP1 | |
| SCHEMBL14182937 | 0.76 | HTR1A (0.47) | HSD17B10 | |
| SCHEMBL24022684 | 0.74 | IMPDH2 (0.61) | PIM1PIM3PIM2HASPINPARP1 | |
| SCHEMBL18552198 | 0.74 | IMPDH2 (0.61) | PIM1PIM3PIM2HASPINPARP1 | |
| SCHEMBL18552149 | 0.74 | IMPDH2 (0.61) | PIM1PIM3PIM2HASPINPARP1 | |
| SCHEMBL28435045 | 0.73 | XDH (0.51) | HASPINIMPDH2 | |
| SCHEMBL15712241 | 0.71 | IMPDH2 (0.53) | PIM1PIM3PIM2HASPINPARP1 | |
| SCHEMBL9273186 | 0.71 | MEN1 (0.61) | PIM1PIM3PIM2HASPINALDH1A1 | |
| SCHEMBL11573397 | 0.71 | NR4A2 (0.64) | PIM1PIM3PIM2HASPINALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| EP-3091011-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-12-27 | — | — | EP | disclosed |