Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 SCHEMBL347581 | 0.98 | CYP1A2 (0.41) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL30177298 | 0.94 | CYP1A2 (0.42) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL29877879 | 0.89 | CYP1A2 (0.35) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL30504479 | 0.88 | CYP2D6 (0.36) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL28647789 | 0.87 | CYP2D6 (0.38) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL1556143 | 0.86 | PDE9A (0.34) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL9569201 | 0.85 | L3MBTL3 (0.35) | CYP1A2CYP2D6TSHR | |
| Trifluoroacetic Acid SCHEMBL30122206 | 0.85 | TSHR (0.34) | CYP1A2CYP2D6TSHR | |
| Trifluoroacetic Acid SCHEMBL25273367 | 0.84 | CYP2D6 (0.36) | CYP1A2CYP2D6GABRDGABRA1GABRB1 | |
| 4,4-Difluoro-Piperidinium SCHEMBL28257455 | 0.84 | CYP1A2 (0.33) | CYP1A2CYP2D6GABRDGABRA1GABRB1 |
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-1926730-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007030061-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-03-15 | — | — | WO | disclosed |