Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ODC1 | P11926 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3378217 | 0.82 | NOS1 (0.35) | NOS1NOS2ALDH1A1ACHEKDM4E | |
| Trifluoroacetic Acid SCHEMBL3149133 | 0.82 | GLRA1 (0.42) | NOS1NOS2ALDH1A1ODC1ACHE | |
| Trifluoroacetic Acid SCHEMBL6885600 | 0.82 | NOS1 (0.35) | NOS1NOS2ALDH1A1ACHEKDM4E | |
| Succinamide SCHEMBL27483865 | 0.82 | ALOX15 (0.39) | NOS1NOS2ALDH1A1ACHEKDM4E | |
| Trifluoroacetic Acid SCHEMBL5701461 | 0.81 | ACLY (0.40) | ALDH1A1LMNATP53POLBCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL15533970 | 0.81 | ACHE (0.54) | NOS1NOS2ALDH1A1ACHELMNA | |
| Trifluoroacetic Acid SCHEMBL934980 | 0.81 | ACHE (0.54) | NOS1NOS2ALDH1A1ACHELMNA | |
| Trifluoroacetic Acid SCHEMBL5747984 | 0.81 | ALDH1A1 (0.46) | NOS1NOS2ALDH1A1ACHELMNA | |
| Trifluoroacetic Acid SCHEMBL3906649 | 0.81 | ALDH1A1 (0.46) | NOS1NOS2ALDH1A1ACHELMNA | |
| Trifluoroacetic Acid SCHEMBL28235039 | 0.81 | ALDH1A1 (0.38) | ALDH1A1ODC1TP53POLBACLY |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1317280-C | Novel diazabicyclic aryl derivatives | NEUROSEARCH AS (DK) | 2007-05-23 | — | — | CN | claimed |
| CN-1738820-A | Novel diazabicyclic aryl derivatives | NEUROSEARCH AS (DK) | 2006-02-22 | — | — | CN | claimed |
| US-7309701-B2 | Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-12-18 | — | — | US | disclosed |
| CN-1317280-C | Novel diazabicyclic aryl derivatives | NEUROSEARCH AS (DK) | 2007-05-23 | — | — | CN | disclosed |
| CN-1738820-A | Novel diazabicyclic aryl derivatives | NEUROSEARCH AS (DK) | 2006-02-22 | — | — | CN | disclosed |