Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 5/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 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 | |
|---|---|---|---|---|
| SCHEMBL4751233 | 1.00 | SIGMAR1 (0.43) | SIGMAR1ALOX12MCHR1KDM4EALDH1A1 | |
| SCHEMBL4751231 | 1.00 | SIGMAR1 (0.43) | SIGMAR1ALOX12MCHR1KDM4EALDH1A1 | |
| SCHEMBL4748954 | 0.88 | SIGMAR1 (0.45) | SIGMAR1ALOX12KDM4EALDH1A1DRD4 | |
| SCHEMBL4788151 | 0.88 | SIGMAR1 (0.45) | SIGMAR1ALOX12KDM4EALDH1A1DRD4 | |
| SCHEMBL4749176 | 0.88 | MCHR1 (0.42) | MCHR1ALDH1A1DRD4MEN1KMT2A | |
| SCHEMBL4752585 | 0.88 | MCHR1 (0.42) | MCHR1ALDH1A1DRD4MEN1KMT2A | |
| SCHEMBL4749240 | 0.80 | ERCC1 (0.55) | ALDH1A1DRD3KCNH2MEN1KMT2A | |
| SCHEMBL4748931 | 0.75 | P2RX7 (0.48) | KDM4EALDH1A1AKR1C3KMT2AHRH3 | |
| SCHEMBL4752588 | 0.75 | ERCC1 (0.49) | KDM4EALDH1A1DRD3KCNH2MEN1 | |
| SCHEMBL10841960 | 0.68 | APP (0.62) | SIGMAR1MCHR1DRD3KCNH2DRD4 |
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-2008136754-A1 | NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES | ASTRAZENECA AB (SE) | 2008-11-13 | — | — | WO | disclosed |
| WO-2008136754-A1 | NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES | ASTRAZENECA AB (SE) | 2008-11-13 | — | — | WO | disclosed |