Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27862891 | 0.98 | IDO1 (0.39) | IDO1AGXTMPOHDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL27660793 | 0.91 | MGLL (0.36) | IDO1MPOHDAC3HDAC1HDAC2 | |
| SCHEMBL28615069 | 0.86 | PKM (0.38) | MPOSLC6A4MEN1KMT2APKM | |
| SCHEMBL27649172 | 0.85 | CYP4F2 (0.44) | IDO1AGXTMPOHDAC3HDAC1 | |
| SCHEMBL28055980 | 0.85 | PKM (0.37) | IDO1AGXTMPOHDAC3HDAC1 | |
| SCHEMBL27585418 | 0.82 | MPO (0.37) | IDO1AGXTMPOHDAC3HDAC1 | |
| SCHEMBL2525745 | 0.81 | ALDH1A1 (0.43) | MAOBKCNH2 | |
| Hydrochloric Acid SCHEMBL2525743 | 0.80 | ALDH1A1 (0.45) | MAOBKCNH2 | |
| SCHEMBL27471665 | 0.78 | MEN1 (0.41) | MEN1KMT2A | |
| SCHEMBL28015642 | 0.78 | CES2 (0.45) | MEN1KMT2APARP1KEAP1 |
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-101146540-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2008-03-19 | — | — | CN | disclosed |