Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 14/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 14/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.56 |
| ▸ | PDE5A | O76074 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14345763 | 0.83 | CYP1A2 (0.59) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14345753 | 0.82 | CYP1A1 (0.56) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL24753891 | 0.78 | BCHE (0.69) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL31268135 | 0.78 | BCHE (0.69) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14345922 | 0.78 | BCHE (0.62) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14345847 | 0.76 | CYP1A1 (0.58) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14345746 | 0.75 | BCHE (0.56) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL30268975 | 0.74 | BCHE (0.70) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL25219690 | 0.74 | BCHE (0.70) | BCHEACHECYP1A1CYP1B1CYP1A2 | |
| SCHEMBL14345846 | 0.73 | ALDH1A1 (0.48) | PDE5AKDM4EALDH1A1TSHR |
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 |