Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.49 |
| ▸ | RELA | Q04206 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2076498 | 0.86 | MAPT (0.50) | SMN1; SMN2USP2NPC1RAB9ANFKB1 | |
| SCHEMBL2074903 | 0.83 | HRH3 (0.49) | SMN1; SMN2NPC1SCN9AALDH1A1ATM | |
| SCHEMBL2073745 | 0.77 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AALDH1A1ATM | |
| SCHEMBL2075861 | 0.76 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AALDH1A1ATM | |
| SCHEMBL2074790 | 0.76 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AALDH1A1ATM | |
| SCHEMBL2076656 | 0.75 | KMT2A (0.45) | SMN1; SMN2MAPTSCN9AALDH1A1MEN1 | |
| SCHEMBL2074244 | 0.75 | NPC1 (0.53) | SMN1; SMN2USP2NPC1RAB9ATP53 | |
| SCHEMBL2075431 | 0.74 | LMNA (0.43) | SMN1; SMN2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL2075468 | 0.73 | EGFR (0.48) | SMN1; SMN2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL2075158 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |