Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13347773 | 0.90 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1PKMMEN1 | |
| SCHEMBL179206 | 0.85 | TSHR (0.44) | TDP1PKMMEN1KMT2AKDM4E | |
| SCHEMBL8267880 | 0.81 | TSHR (0.54) | CYP2A6CYP1A2TDP1MEN1KMT2A | |
| SCHEMBL14525472 | 0.81 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1PKMMEN1 | |
| SCHEMBL8404523 | 0.81 | GPR35 (0.46) | CYP2A6TDP1MEN1KMT2AKDM4E | |
| SCHEMBL8404526 | 0.81 | CYP2A6 (0.42) | CYP2A6TDP1PKMMEN1KMT2A | |
| SCHEMBL8269230 | 0.81 | GPR35 (0.46) | CYP2A6TDP1MEN1KMT2AKDM4E | |
| SCHEMBL8404525 | 0.81 | CA1 (0.38) | CYP1A2TDP1PKMMEN1KMT2A | |
| SCHEMBL8404532 | 0.81 | CYP1A2 (0.42) | CYP2A6CYP1A2MEN1KMT2AKDM4E | |
| SCHEMBL8404529 | 0.81 | CYP1A2 (0.42) | CYP2A6CYP1A2MEN1KMT2AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013137479-A1 | DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-09-19 | — | — | WO | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |