Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12446116 | 0.81 | GRIN1 (0.43) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2151674 | 0.80 | KIF20A (0.54) | ALDH1A1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL2151685 | 0.80 | KIF20A (0.54) | ALDH1A1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL5406529 | 0.75 | NFE2L2 (0.57) | NFE2L2RELAALDH1A1KMT2ANPC1 | |
| SCHEMBL6867023 | 0.73 | GRIN2B (0.47) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12446542 | 0.72 | MAOB (0.42) | NFE2L2GRIN2BNPC1RAB9AFBP1 | |
| SCHEMBL1425701 | 0.72 | FLT1 (0.54) | ALDH1A1KMT2AFLT1FLT4KDR | |
| SCHEMBL3436243 | 0.72 | ALDH1A1 (0.66) | ALDH1A1KMT2AFLT1FLT4KDR | |
| SCHEMBL8118305 | 0.71 | KIF20A (0.54) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| SCHEMBL13639623 | 0.70 | KDM4E (0.52) | KMT2ANPC1RAB9AFLT1FLT4 |
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-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |