Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | CD4 | P01730 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3091835 | 0.83 | AKR1C3 (0.47) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL15062809 | 0.83 | AKR1C3 (0.58) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL3100375 | 0.83 | AKR1C3 (0.64) | PKMAKR1C3 | |
| SCHEMBL3079208 | 0.82 | AKR1C3 (0.52) | PKMAKR1C3SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL3088744 | 0.80 | PKM (0.44) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL3095892 | 0.80 | PKM (0.44) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL3091050 | 0.80 | AKR1C3 (0.50) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL20047173 | 0.74 | PKM (0.53) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL3096000 | 0.73 | AKR1C3 (0.49) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL20047027 | 0.73 | PKM (0.51) | PKMAKR1C3SMN1; SMN2CYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393812-B1 | SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS | GRUENENTHAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |
| EP-2393812-A1 | SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS | Grünenthal GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089127-A1 | SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | disclosed |