Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 9/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | CHKB | Q9Y259 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5213200 | 0.97 | CHKA (0.55) | CHKALMNACYP2A6ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL6414496 | 0.94 | CHKA (0.53) | CHKALMNACYP2A6ALDH1A1ALOX15 | |
| SCHEMBL1134844 | 0.87 | GSK3B (0.50) | CHKALMNAALDH1A1ALOX15HSD17B10 | |
| SCHEMBL11160853 | 0.85 | PTGS2 (0.54) | CHKALMNACYP2A6ALDH1A1ALOX15 | |
| SCHEMBL22453198 | 0.85 | ALDH1A1 (0.54) | CHKALMNACYP2A6ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL1134854 | 0.85 | GSK3B (0.49) | CHKALMNAALDH1A1ALOX15HSD17B10 | |
| SCHEMBL237243 | 0.85 | CHKA (0.47) | CHKALMNACYP2A6ALDH1A1ALOX15 | |
| SCHEMBL2222390 | 0.83 | CHKA (0.52) | CHKAALDH1A1ALOX15HSD17B10HPGD | |
| SCHEMBL17327857 | 0.81 | HDAC8 (0.58) | CHKALMNAALDH1A1ALOX15HSD17B10 | |
| SCHEMBL11165800 | 0.81 | HPGD (0.52) | CHKAALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |