Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 10/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15062737 | 0.91 | AKR1C3 (0.46) | AKR1C3PKMSMN1; SMN2L3MBTL1AKR1C1 | |
| SCHEMBL3100375 | 0.87 | AKR1C3 (0.64) | AKR1C3PKMAKR1C1 | |
| SCHEMBL3091050 | 0.84 | AKR1C3 (0.50) | AKR1C3PKMCYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL3079208 | 0.83 | AKR1C3 (0.52) | AKR1C3PKMSMN1; SMN2LMNARAB9A | |
| SCHEMBL3722871 | 0.83 | PKM (0.49) | AKR1C3PKMCYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL3091835 | 0.82 | AKR1C3 (0.47) | AKR1C3PKMCYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL15062765 | 0.82 | MEN1 (0.49) | AKR1C3SMN1; SMN2LMNAPDE4BPDE4D | |
| SCHEMBL15062792 | 0.78 | L3MBTL1 (0.51) | AKR1C3L3MBTL1MEN1KMT2A | |
| SCHEMBL15062805 | 0.78 | AKR1C3 (0.43) | AKR1C3MEN1KMT2A | |
| SCHEMBL3088744 | 0.78 | PKM (0.44) | AKR1C3PKMCYP3A4CYP2C19SMN1; SMN2 |
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 1 patent. 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 |