Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 SCHEMBL4681386 | 0.99 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2CNR1GAAPKM | |
| SCHEMBL6983830 | 0.88 | GPR139 (0.50) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| Hydrochloric Acid SCHEMBL6988112 | 0.87 | GPR139 (0.49) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL6984610 | 0.81 | NPC1 (0.55) | SMN1; SMN2CNR1GAACYP2C9TSHR | |
| SCHEMBL4677423 | 0.80 | KDM4E (0.56) | CYP3A4SMN1; SMN2GAAALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6990408 | 0.80 | KMT2A (0.51) | CYP3A4SMN1; SMN2CNR1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL6993204 | 0.79 | POLB (0.56) | CYP3A4GAAALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL6988792 | 0.79 | KMT2A (0.58) | SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4677640 | 0.77 | SMN1; SMN2 (0.59) | SMN1; SMN2CNR1ALDH1A1POLB | |
| SCHEMBL6987979 | 0.77 | KDM4E (0.59) | SMN1; SMN2ALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | claimed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | claimed |
| EP-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |