Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | PTPRF | P10586 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9213789 | 1.00 | NOS2 (0.52) | NOS2CES2CES1ALDH1A1LMNA | |
| SCHEMBL7830039 | 0.80 | GRIN2B (0.59) | NOS2NPC1 | |
| SCHEMBL7466196 | 0.80 | GRIN2B (0.59) | NOS2NPC1 | |
| SCHEMBL19488948 | 0.78 | NOS2 (0.49) | NOS2CES2CES1ALDH1A1LMNA | |
| SCHEMBL11897675 | 0.76 | CES2 (0.54) | NOS2CES2CES1ALDH1A1LMNA | |
| SCHEMBL11897674 | 0.76 | CES2 (0.54) | NOS2CES2CES1ALDH1A1LMNA | |
| SCHEMBL9132605 | 0.74 | ALDH1A1 (0.55) | CES2CES1ALDH1A1KMT2AMEN1 | |
| SCHEMBL9132600 | 0.74 | ALDH1A1 (0.55) | CES2CES1ALDH1A1KMT2AMEN1 | |
| SCHEMBL7822579 | 0.74 | LOXL2 (0.59) | ALDH1A1LMNACYP1A2CYP2C19CRHBP | |
| Nitrobenzene SCHEMBL11825863 | 0.74 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNACRHBP |
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 |
|---|---|---|---|---|---|---|---|
| US-5086170-A | PROCESS FOR THE PREPARATION OF AZABICYCLO COMPOUNDS | ROUSSEL UCLAF (FR) | 1992-02-04 | — | — | US | disclosed |
| US-5059596-A | AZABICYCLO COMPOUNDS | ROUSSEL UCLAF (FR) | 1991-10-22 | — | — | US | disclosed |