Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | OXTR | P30559 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4962125 | 0.85 | CYP1A2 (0.41) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL4960423 | 0.80 | CYP1A2 (0.38) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL4959934 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4959933 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4958574 | 0.74 | SMN1; SMN2 (0.38) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4312868 | 0.73 | CES2 (0.34) | CES2CES1IDO1TDO2ALPL | |
| SCHEMBL4960360 | 0.72 | CYP1A2 (0.33) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4960105 | 0.70 | SMN1; SMN2 (0.43) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4958729 | 0.70 | SMN1; SMN2 (0.38) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4962975 | 0.67 | ALOX5 (0.46) | — |
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-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |