Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | NAT1 | P18440 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9261041 | 1.00 | SIRT2 (0.42) | SIRT2SIRT1SIRT3SIRT5BRD4 | |
| SCHEMBL9435124 | 0.91 | CYP1A2 (0.44) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9435134 | 0.91 | CYP1A2 (0.44) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9264472 | 0.84 | ERBB2 (0.48) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9264482 | 0.84 | ERBB2 (0.48) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9182812 | 0.84 | NFE2L2 (0.47) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9182821 | 0.84 | NFE2L2 (0.47) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9259510 | 0.84 | MAOB (0.47) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL9259501 | 0.84 | MAOB (0.47) | MAPTSMN1; SMN2LMNACYP1A2CYP2D6 | |
| SCHEMBL8411724 | 0.81 | SERPINE1 (0.56) | MAPTSMN1; SMN2LMNAMAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | claimed |
| EP-0672036-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | disclosed |