Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.45 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9486575 | 0.91 | CYP19A1 (0.49) | KDM4ECYP19A1NPBWR1MAPTPOLB | |
| SCHEMBL28923795 | 0.90 | KCNH2 (0.50) | KDM4ECYP19A1NPBWR1MAPTPOLB | |
| SCHEMBL6257538 | 0.88 | CYP19A1 (0.54) | KDM4ECYP19A1NPBWR1MAPTPOLB | |
| SCHEMBL6597520 | 0.85 | CYP19A1 (0.51) | KDM4ECYP19A1MAPTPOLBMAOB | |
| SCHEMBL8104671 | 0.84 | CYP19A1 (0.48) | KDM4ECYP19A1MAPTPOLBMAOB | |
| SCHEMBL6257958 | 0.84 | CYP19A1 (0.48) | KDM4ECYP19A1MAPTPOLBMAOB | |
| SCHEMBL3962933 | 0.84 | CYP19A1 (0.48) | KDM4ECYP19A1NPBWR1MAPTPOLB | |
| SCHEMBL27532988 | 0.83 | CYP19A1 (0.55) | KDM4ECYP19A1MAPTPOLBMAOB | |
| SCHEMBL27602612 | 0.82 | CYP19A1 (0.52) | CYP19A1MAPTPOLBMAOBNOS1 | |
| SCHEMBL8802605 | 0.82 | CYP19A1 (0.49) | KDM4ECYP19A1MAPTPOLBMAOB |
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 6 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 |
| EP-0830344-B1 | 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS | AMERICAN HOME PROD (US) | 2001-11-28 | — | — | EP | disclosed |
| EP-0830344-A1 | 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040644-A1 | 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |