Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 13/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 13/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PDE5A | O76074 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14345741 | 0.83 | CYP1A2 (0.57) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14345950 | 0.83 | CYP1A2 (0.49) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14346052 | 0.80 | CYP1A1 (0.60) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14345736 | 0.75 | ALDH1A1 (0.47) | CYP1A2KDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL14345725 | 0.75 | CYP1A1 (0.57) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14345705 | 0.74 | BCHE (0.50) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14345951 | 0.72 | CYP1A2 (0.57) | CYP1A1CYP1B1CYP1A2KDM4EPOLB | |
| SCHEMBL14345847 | 0.71 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL1311759 | 0.68 | KDM4E (0.64) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL2457583 | 0.68 | KDM4E (0.47) | CYP1A1CYP1B1CYP1A2KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007138081-A1 | PYRIMIDINO[1',6'-1,2]PYRIDO[3,4-b]INDOLE DERIVATIVES AND THEIR THERAPEUTIC USAGE | FOURTILLAN (FR) | 2007-12-06 | — | — | WO | disclosed |