Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8413379 | 1.00 | AKR1B1 (0.51) | AKR1B1RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL8411264 | 0.73 | HRH3 (0.64) | AKR1B1RAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL8411774 | 0.73 | PABPC1 (0.54) | AKR1B1RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL8573167 | 0.73 | HRH3 (0.64) | AKR1B1RAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL8412001 | 0.73 | PABPC1 (0.54) | AKR1B1RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL8411263 | 0.73 | HRH3 (0.64) | AKR1B1RAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL8411772 | 0.73 | PABPC1 (0.54) | AKR1B1RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL13708200 | 0.70 | ALDH1A1 (0.49) | AKR1B1MAPTCYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL21342234 | 0.69 | MAPT (0.68) | AKR1B1RAB9ANPC1MAPTCYP1A2 | |
| SCHEMBL21342174 | 0.67 | AKR1B1 (0.80) | AKR1B1RAB9ANPC1MAPTCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861400-A | TREATING RESISTANCE TO AN ANTHRACYLCINE ANTIBIOTIC WITH ADIKETOPIPERAZINE COMPOUND | XENOVA LIMITED (GB) | 1999-01-19 | — | — | US | disclosed |
| US-5852018-A | Pharmaceutical piperazine compounds | XENOVA LIMITED (GB) | 1998-12-22 | — | — | US | disclosed |
| EP-0672036-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1995021831-A1 | PHARMACEUTICAL PIPERAZINE COMPOUNDS | XENOVA LIMITED (GB) | 1995-08-17 | — | — | WO | disclosed |
| WO-1995021830-A1 | PHARMACEUTICAL PIPERAZIN COMPOUNDS | XENOVA LIMITED (GB) | 1995-08-17 | — | — | WO | disclosed |
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | disclosed |