Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL6232538 | 0.86 | BCHE (0.59) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL6231870 | 0.85 | BCHE (0.62) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL31154250 | 0.82 | TP53 (0.44) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL6236251 | 0.82 | NPC1 (0.58) | TP53MAPTNPC1RAB9AGAA | |
| SCHEMBL19145306 | 0.82 | TP53 (0.64) | TP53SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL1663221 | 0.80 | PARP1 (0.52) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL19117309 | 0.79 | TP53 (0.59) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL26226732 | 0.79 | TP53 (0.59) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2674838 | 0.78 | TP53 (1.00) | TP53SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL27938349 | 0.78 | HTR2B (0.49) | TP53MAPTBCHEACHEHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004092181-A9 | HETEROCYCLIC MCHR1 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-01-27 | — | — | WO | disclosed |