Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.45 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27868663 | 0.83 | TUBB4A (0.43) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL8409653 | 0.80 | CACNA1C (0.47) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL2072913 | 0.76 | GRIA1 (0.49) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL10492182 | 0.74 | GRIA1 (0.46) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL8697240 | 0.70 | TSHR (0.42) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL1260652 | 0.69 | HRH4 (0.60) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL1156515 | 0.69 | HRH4 (0.60) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL8794605 | 0.68 | HRH4 (0.59) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL6847834 | 0.67 | ALDH1A1 (1.00) | ALDH1A1MEN1POLBPKMNPY1R | |
| SCHEMBL3035932 | 0.67 | ALDH1A1 (0.52) | ALDH1A1MEN1POLBPKMNPY1R |
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 |