Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | SETDB1 | Q15047 | 2/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4832614 | 0.98 | PDE9A (0.38) | NCF1PDE9ACYP11B1CYP11B2LMNA | |
| SCHEMBL4037271 | 0.78 | DPP4 (0.33) | DPP4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL20455919 | 0.77 | GAA (0.46) | PDE9ALMNAMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2076601 | 0.77 | DPP4 (0.33) | DPP4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL16201996 | 0.77 | FLT3 (0.44) | CYP11B1CYP11B2LMNAMAPTSMN1; SMN2 | |
| SCHEMBL30332428 | 0.75 | MAPT (0.47) | NCF1PDE9AMAPTSMN1; SMN2PNMT | |
| SCHEMBL8062086 | 0.75 | MEN1 (0.43) | MAPTSMN1; SMN2PSEN1PSEN2APH1B | |
| SCHEMBL30725606 | 0.74 | BCHE (0.40) | LMNAMAPTSMN1; SMN2CYP3A4HCAR1 | |
| SCHEMBL12528439 | 0.74 | BCHE (0.40) | LMNAMAPTSMN1; SMN2CYP3A4HCAR1 | |
| SCHEMBL30725595 | 0.74 | ADORA1 (0.47) | LMNAMAPTSMN1; SMN2HCAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |