Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11161458 | 0.72 | EPHX1 (0.47) | EPHX1SPHK1ACHE | |
| SCHEMBL6446980 | 0.72 | HTT (0.45) | MMP2EPHX1SPHK1HTTACHE | |
| SCHEMBL25632160 | 0.71 | GLS (0.45) | MMP2EPHX1SPHK1HTTACHE | |
| SCHEMBL24654085 | 0.70 | ACHE (0.46) | EPHX1SPHK1ACHECYP3A4CYP2C19 | |
| Cyclohexane SCHEMBL28879540 | 0.70 | EPHX1 (0.52) | MMP2EPHX1ACHEALDH1A1 | |
| SCHEMBL23133081 | 0.69 | SPHK1 (0.47) | MMP2EPHX1SPHK1HTTACHE | |
| SCHEMBL175504 | 0.69 | SPHK1 (0.64) | EPHX1SPHK1 | |
| SCHEMBL20119053 | 0.69 | EPHX1 (0.48) | EPHX1SPHK1 | |
| SCHEMBL8394580 | 0.68 | SPHK1 (0.46) | MMP2EPHX1SPHK1ACHE | |
| Acetic Acid SCHEMBL7390729 | 0.68 | EPHX1 (0.54) | MMP2EPHX1MMP1HTTACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-1220490-C | Application of piperazine oxirane derivative in preparation of medicine for inducing tumor cell death | HITACHI CHEMICAL CO LTD (JP) | 2005-09-28 | — | — | CN | disclosed |
| CN-1212623-A | Method for inducing death of neoplastic cells using piperazine oxirane derivatives | HITACHI CHEMICAL CO LTD (JP) | 1999-03-31 | — | — | CN | disclosed |