Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6496739 | 0.82 | CYP2A6 (0.50) | CYP2A6P2RX7PIM1PIM3HTR1D | |
| SCHEMBL29956880 | 0.79 | CYP2A6 (0.60) | CYP2A6IMPDH2P2RX7PIM1PIM3 | |
| SCHEMBL31385944 | 0.76 | CYP2A6 (0.60) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29955572 | 0.76 | CYP2A6 (0.60) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29954170 | 0.72 | CYP2A6 (0.56) | CYP2A6IMPDH2P2RX7PIM1PIM3 | |
| SCHEMBL15822801 | 0.72 | P2RX7 (0.55) | CYP2A6IMPDH2P2RX7HTR1DHTR1B | |
| SCHEMBL29957435 | 0.72 | CYP2A6 (0.55) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL644301 | 0.71 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29953853 | 0.71 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29953523 | 0.71 | CYP2A6 (0.58) | CYP2A6IMPDH2P2RX7PIM1PIM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1585749-A1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER INC. (US) | 2005-10-19 | — | — | EP | disclosed |
| WO-2004063198-A1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER INC. (US) | 2004-07-29 | — | — | WO | disclosed |