Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 5/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | 0.86 | TUBB4A (0.43) | CACNA1CADORA3SMN1; SMN2HIF1AMAPT | |
| SCHEMBL8409596 | 0.80 | ALDH1A1 (0.50) | MAPTMEN1KMT2ACYP3A4POLB | |
| SCHEMBL6016022 | 0.76 | TSHR (0.47) | SMN1; SMN2MAPTMEN1KMT2APOLB | |
| SCHEMBL2072913 | 0.75 | GRIA1 (0.49) | MAPTMEN1KMT2ACYP3A4POLB | |
| SCHEMBL656156 | 0.74 | KDM4E (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL16733406 | 0.73 | ALDH1A1 (0.71) | ARSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL2449511 | 0.72 | SMN1; SMN2 (0.50) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL394554 | 0.72 | ALOX15 (0.64) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL6001705 | 0.72 | ALDH1A1 (0.57) | ARSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL4948906 | 0.72 | ALDH1A1 (0.57) | ARSMN1; SMN2MAPTMEN1KMT2A |
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 |