Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13639648 | 0.92 | TRPA1 (0.43) | KMT2ANPSR1ALDH1A1CXCL12TRPA1 | |
| SCHEMBL13639608 | 0.85 | NPFFR1 (0.36) | NPFFR2TP53CXCL12TRPA1CYP11B2 | |
| SCHEMBL12446116 | 0.83 | GRIN1 (0.43) | KMT2AALDH1A1CYP11B2CHATPOLB | |
| SCHEMBL12446542 | 0.81 | MAOB (0.42) | PKMMAPK1SMN1; SMN2 | |
| SCHEMBL13639614 | 0.79 | CXCL12 (0.34) | CXCL12CYP11B2CYP11B1SLC6A4 | |
| SCHEMBL30006425 | 0.78 | ALDH1A1 (0.42) | KMT2ANPSR1ALDH1A1POLBPKM | |
| SCHEMBL2151442 | 0.78 | ALDH1A1 (0.42) | KMT2ANPSR1ALDH1A1POLBPKM | |
| SCHEMBL13639524 | 0.78 | DGAT1 (0.40) | KMT2ANPSR1ALDH1A1POLBPKM | |
| SCHEMBL2151454 | 0.78 | ALDH1A1 (0.42) | KMT2ANPSR1ALDH1A1POLBPKM | |
| SCHEMBL13639667 | 0.78 | CYP11B2 (0.36) | KMT2ANPSR1ALDH1A1CXCL12CYP11B2 |
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-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011098398-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-18 | — | — | WO | disclosed |