Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL778099 | 0.86 | MEN1 (0.44) | NPSR1MEN1KMT2AMMP9MMP1 | |
| SCHEMBL4148573 | 0.81 | POLB (0.39) | NPSR1MEN1KMT2AALDH1A1CA12 | |
| SCHEMBL15871416 | 0.80 | NPSR1 (0.48) | NPSR1MEN1KMT2ACA12CA1 | |
| SCHEMBL12230075 | 0.79 | ACHE (0.40) | MEN1KMT2AALDH1A1CA12CA2 | |
| SCHEMBL12229697 | 0.79 | NPSR1 (0.45) | NPSR1MEN1KMT2AALDH1A1CA12 | |
| SCHEMBL4411677 | 0.79 | NPSR1 (0.47) | NPSR1MEN1KMT2ACA12CA1 | |
| SCHEMBL13636979 | 0.79 | NPSR1 (0.47) | NPSR1MEN1KMT2AALDH1A1CA12 | |
| SCHEMBL2034316 | 0.79 | NPSR1 (0.47) | NPSR1MEN1KMT2ACA12CA1 | |
| SCHEMBL2364152 | 0.79 | MEN1 (0.54) | NPSR1MEN1KMT2AALDH1A1CA12 | |
| SCHEMBL12229683 | 0.79 | POLB (0.53) | NPSR1MEN1KMT2AALDH1A1CA12 |
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 |