Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7898502 | 0.82 | ABCC9 (0.41) | POLBGAAMAPTPRKACARPS6KB1 | |
| SCHEMBL22320268 | 0.81 | GAA (0.50) | KDM4EALDH1A1HPGDPOLBGAA | |
| SCHEMBL9208078 | 0.81 | GAA (0.52) | ALDH1A1HPGDPOLBGAAMAPT | |
| SCHEMBL7894007 | 0.81 | POLB (0.37) | KDM4EALDH1A1HPGDPOLBGAA | |
| SCHEMBL6642520 | 0.80 | POLB (0.63) | KDM4EALDH1A1HPGDCYP2A6POLB | |
| SCHEMBL7895007 | 0.80 | CHEK1 (0.41) | KDM4EHPGDPOLBGAAMAPT | |
| SCHEMBL7895601 | 0.80 | LOXL2 (0.51) | LOXL2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7894067 | 0.79 | LOXL2 (0.59) | LOXL2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL12092541 | 0.78 | CHEK2 (0.49) | ALDH1A1POLBGAAMAPTRAB9A | |
| SCHEMBL31155173 | 0.78 | MAPT (0.50) | KDM4EALDH1A1HPGDPOLBGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5846999-A | Substituted N-arylmethylamino derivatives of cyclobutene-3,4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-12-08 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |