Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CETP | P11597 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8125895 | 1.00 | KMT2A (0.52) | KMT2AMEN1TAAR1CALM1CAMKK2 | |
| SCHEMBL3351417 | 0.85 | PTGES (0.47) | TAAR1CALM1CAMKK2CETP | |
| SCHEMBL496176 | 0.84 | CSNK1E (0.51) | KMT2AMEN1TAAR1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4666757 | 0.84 | PTGES (0.47) | TAAR1CALM1CAMKK2ALDH1A1CETP | |
| Hydrochloric Acid SCHEMBL496241 | 0.83 | CSNK1E (0.50) | KMT2AMEN1TAAR1ALDH1A1KDM4E | |
| SCHEMBL4047022 | 0.82 | CALM1 (0.55) | TAAR1CALM1CAMKK2ALDH1A1CETP | |
| SCHEMBL5206234 | 0.80 | LTA4H (0.44) | TAAR1ALDH1A1CETPKDM4E | |
| SCHEMBL13760890 | 0.80 | MEP1B (0.49) | KMT2AMEN1TAAR1CALM1CAMKK2 | |
| SCHEMBL3881006 | 0.80 | LTA4H (0.44) | TAAR1ALDH1A1CETPKDM4E | |
| SCHEMBL3877090 | 0.80 | PTGES (0.43) | TAAR1CETP |
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-2004013098-A1 | NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-02-12 | — | — | WO | disclosed |