Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CBX7 | O95931 | 1/20 | 0.37 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.37 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.37 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4167818 | 0.81 | AKR1B1 (0.46) | AKR1B1CBX7CDYLAKR1A1 | |
| SCHEMBL2483991 | 0.76 | CNR1 (0.51) | ALDH1A1KMT2A | |
| SCHEMBL3960398 | 0.75 | IDO1 (0.42) | AKR1B1IDO1HTR7CBX7CDYL2 | |
| SCHEMBL2486352 | 0.74 | PTGDR2 (0.62) | AKR1B1IDO1CYP2C9 | |
| SCHEMBL4160906 | 0.73 | AKR1B1 (0.37) | AKR1B1ALDH1A1HTTAKR1A1 | |
| SCHEMBL2484248 | 0.72 | PTGDR2 (0.64) | ALDH1A1HTR7GAALMNAMEN1 | |
| SCHEMBL3954635 | 0.71 | PTGDR2 (0.39) | AKR1B1IDO1CBX7CDYL2CDYL | |
| SCHEMBL4543280 | 0.71 | NPC1 (0.43) | AKR1B1ALDH1A1GAAHPGDLMNA | |
| SCHEMBL4979426 | 0.71 | CNR1 (0.51) | AKR1B1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL13589453 | 0.69 | POLB (0.40) | AKR1B1IDO1CBX7CDYL2CDYL |
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-2013216-A2 | NOVEL SPIRO [IMIDAZOLIDINE-4, 3' -INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 | AstraZeneca AB (SE) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007091948-A2 | NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 | ASTRAZENECA AB (SE) | 2007-08-16 | — | — | WO | disclosed |