Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27804403 | 0.77 | NCF1 (0.38) | NCF1BRD4PNMTMC4RLMNA | |
| SCHEMBL27760719 | 0.73 | RBP4 (0.42) | — | |
| SCHEMBL28103538 | 0.73 | NCF1 (0.38) | NCF1BRD4CXCR4 | |
| SCHEMBL27858283 | 0.72 | NCF1 (0.35) | NCF1BRD4HTR2CHTR2BLMNA | |
| SCHEMBL27960754 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL570426 | 0.72 | USP30 (0.39) | LMNA | |
| SCHEMBL28753504 | 0.71 | NCF1 (0.55) | NCF1BRD4CXCR4PNMTMC4R | |
| SCHEMBL27502833 | 0.70 | NCF1 (0.58) | NCF1BRD4PNMTMC4RHTR2A | |
| SCHEMBL4629735 | 0.70 | NCF1 (0.47) | NCF1LMNAACHE | |
| SCHEMBL28764794 | 0.69 | KDM4E (0.40) | OPRM1OPRK1OPRL1HTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1989141-B | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2010-06-16 | — | — | CN | disclosed |
| CN-1989141-A | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-06-27 | — | — | CN | disclosed |