Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9435124 | 1.00 | CYP1A2 (0.44) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9261050 | 0.91 | SIRT2 (0.42) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9261041 | 0.91 | SIRT2 (0.42) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9264472 | 0.89 | ERBB2 (0.48) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9259501 | 0.89 | MAOB (0.47) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9182812 | 0.89 | NFE2L2 (0.47) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9182821 | 0.89 | NFE2L2 (0.47) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9264482 | 0.89 | ERBB2 (0.48) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL9259510 | 0.89 | MAOB (0.47) | CYP1A2MAPTLMNASMN1; SMN2CYP2D6 | |
| SCHEMBL8411724 | 0.86 | SERPINE1 (0.56) | MAPTLMNASMN1; SMN2EP300ALDH1A1 |
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-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | claimed |
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | disclosed |