Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 8/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2693525 | 0.76 | HCAR2 (0.42) | HCAR2F2F10F7F3 | |
| SCHEMBL9843440 | 0.75 | PAX8 (0.45) | HCAR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30276684 | 0.75 | IDO1 (0.38) | HCAR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8967704 | 0.73 | CYP3A4 (0.46) | HCAR2F2F10F7F3 | |
| SCHEMBL1650848 | 0.72 | PLAUR (0.47) | HCAR2KMT2AMEN1F2F10 | |
| Hydrochloric Acid SCHEMBL5336924 | 0.70 | PLAUR (0.46) | HCAR2KMT2AMEN1F2F10 | |
| SCHEMBL22762116 | 0.70 | ALDH1A1 (0.45) | KMT2AMEN1ELANEALDH1A1 | |
| SCHEMBL8749880 | 0.69 | BRD4 (0.45) | FEN1METPAX8ALDH1A1 | |
| Quinoline SCHEMBL28178121 | 0.65 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9A | |
| SCHEMBL15301760 | 0.63 | CCR1 (0.55) | TSHRHIF1APAX8ALDH1A1RAB9A |
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-0429987-A2 | 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1991-06-05 | — | — | EP | disclosed |