Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449435 | 0.89 | KDM4E (0.46) | KDM4ETAAR1AOC3PTGS1PTGS2 | |
| SCHEMBL6449443 | 0.89 | KDM4E (0.46) | KDM4ETAAR1AOC3PTGS1PTGS2 | |
| SCHEMBL28115040 | 0.82 | IDO1 (0.41) | AOC3KCNH2SIGMAR1 | |
| SCHEMBL1444575 | 0.78 | KDM4E (0.49) | KDM4ETAAR1TRPA1MAOB | |
| SCHEMBL6076750 | 0.78 | KDM4E (0.49) | KDM4ETAAR1TRPA1MAOB | |
| SCHEMBL7389802 | 0.76 | IGF1R (0.45) | TAAR1TMEM97SIGMAR1 | |
| SCHEMBL2114474 | 0.74 | ALDH1A1 (0.49) | KDM4EPTGS1KCNH2 | |
| SCHEMBL11336831 | 0.74 | TAAR1 (0.47) | TAAR1AOC3PTGS1PTGS2MAOB | |
| SCHEMBL12756968 | 0.71 | ALDH1A1 (0.42) | KDM4ETAAR1 | |
| SCHEMBL17219274 | 0.70 | L3MBTL1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1617849-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-05-18 | — | — | CN | disclosed |