Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.34 |
| ▸ | XIAP | P98170 | 3/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 6/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.33 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27667166 | 0.88 | NTRK1 (0.32) | NTRK1XIAPGRIN2BHTR2CMCHR1 | |
| SCHEMBL27667070 | 0.85 | NTRK1 (0.36) | NTRK1GRM2XIAPBIRC2GRIN2B | |
| SCHEMBL27666982 | 0.85 | BTK (0.34) | GRM2PARP1PARP2TNKSPARP6 | |
| SCHEMBL27667206 | 0.82 | SCN9A (0.36) | GRM2 | |
| SCHEMBL27686339 | 0.81 | NTRK1 (0.33) | NTRK1GRM2XIAPBIRC2GRIN2B | |
| SCHEMBL27686061 | 0.81 | TDP1 (0.36) | GRM2PARP1PARP2TNKSPARP6 | |
| SCHEMBL28767160 | 0.81 | GRM2 (0.35) | GRM2KCNH2MAPK1 | |
| SCHEMBL27667170 | 0.80 | BTK (0.33) | GRM2PARP1PARP2TNKSPARP6 | |
| SCHEMBL27667135 | 0.80 | GRIN2B (0.42) | NTRK1GRIN2BALDH1A1SMN1; SMN2 | |
| SCHEMBL27686178 | 0.79 | PIK3CA (0.39) | NTRK1GRM2GRIN2BHTR2CMCHR1 |
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-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | claimed |
| CN-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | disclosed |