Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL10012179 | 0.94 | ACHE (0.46) | RAB9ANPC1JAK2ALDH1A1HTT | |
| SCHEMBL1487730 | 0.86 | TSPO (0.41) | RAB9ANPC1JAK2ALDH1A1HTT | |
| SCHEMBL172583 | 0.82 | CA12 (0.44) | RAB9ANPC1ALDH1A1HTTACHE | |
| SCHEMBL5516786 | 0.81 | ALDH1A1 (0.42) | RAB9ANPC1ALDH1A1HTTCYP3A4 | |
| SCHEMBL43388 | 0.81 | ALDH1A1 (0.42) | RAB9ANPC1ALDH1A1HTTCYP3A4 | |
| SCHEMBL5391731 | 0.78 | HDAC6 (0.54) | RAB9AHSD17B1HSD17B2SMN1; SMN2 | |
| SCHEMBL12996836 | 0.76 | MAOA (0.40) | ALDH1A1HTT | |
| SCHEMBL2095103 | 0.76 | HSD17B1 (0.46) | RAB9ANPC1JAK2ALDH1A1HTT | |
| SCHEMBL8075633 | 0.75 | ACHE (0.48) | RAB9ANPC1JAK2ALDH1A1HTT | |
| SCHEMBL2967403 | 0.74 | ACHE (0.42) | RAB9ANPC1JAK2ALDH1A1HTT |
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 2 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 |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |