Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GCK | P35557 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12516141 | 0.80 | KMT2A (0.43) | ADRA1DADRA1AADRA1BOPRK1SLC6A2 | |
| SCHEMBL2223213 | 0.80 | KMT2A (0.43) | ADRA1DADRA1AADRA1BOPRK1SLC6A2 | |
| SCHEMBL2222662 | 0.80 | KMT2A (0.43) | ADRA1DADRA1AADRA1BOPRK1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2222676 | 0.79 | KMT2A (0.42) | ADRA1DADRA1AADRA1BOPRK1SLC6A2 | |
| SCHEMBL8406740 | 0.78 | DRD2 (0.62) | ALDH1A1TDP1KDM4EL3MBTL1PKM | |
| SCHEMBL3716902 | 0.74 | PARP1 (0.44) | ALDH1A1TDP1KDM4EKCNH2 | |
| SCHEMBL3714492 | 0.73 | JAK3 (0.43) | ALDH1A1KDM4EKCNH2 | |
| SCHEMBL8408485 | 0.73 | DRD2 (0.46) | ALDH1A1TDP1SLC6A2SLC6A4 | |
| SCHEMBL20545619 | 0.73 | TDP1 (0.49) | MAP2K1ALDH1A1TDP1CNR2KDM4E | |
| SCHEMBL21119052 | 0.72 | ALDH1A1 (0.51) | ALDH1A1TDP1KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5866589-A | Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds | PHARMACIA & UPJOHN COMPANY (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0797576-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |