Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7522573 | 0.89 | TSHR (0.58) | ALDH1A1GAALMNANPC1GLA | |
| SCHEMBL25695326 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL7521195 | 0.84 | MAPK1 (0.42) | HTTALDH1A1ABL1RIN1MAPT | |
| SCHEMBL499428 | 0.81 | KMT2A (0.46) | ALDH1A1PKMKMT2AHPGDSMN1; SMN2 | |
| SCHEMBL31225518 | 0.81 | SMN1; SMN2 (0.54) | HTTALDH1A1MAPTGAACYP3A4 | |
| SCHEMBL21095220 | 0.81 | PTGS1 (0.58) | MAPTCYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL5273424 | 0.80 | CYP1A2 (0.43) | HTTALDH1A1MAPTGAACYP1A2 | |
| Methane SCHEMBL9652348 | 0.80 | PTGS1 (0.57) | MAPTCYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL14430669 | 0.79 | CA12 (0.57) | ALDH1A1MAPTLMNAKMT2AMEN1 | |
| SCHEMBL19658177 | 0.79 | KMT2A (0.50) | ALDH1A1PKMKMT2AHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995000498-A1 | N,N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5348955-A | Angiotensis II antagonists | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5292726-A | N,N-diacylpiperazines | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |