Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.69 |
| ▸ | CNR1 | P21554 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351106 | 0.92 | CNR1 (0.68) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL4357505 | 0.83 | CNR1 (0.60) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL4350061 | 0.83 | MTOR (0.55) | KMT2AMEN1SMN1; SMN2TP53HTT | |
| SCHEMBL12196188 | 0.82 | EPHX1 (1.00) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL22834239 | 0.82 | CNR1 (1.00) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL4357501 | 0.81 | CNR1 (0.57) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL6568654 | 0.81 | CNR1 (0.60) | KDM4ECNR1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL6567685 | 0.80 | EPHX2 (0.48) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL4349474 | 0.79 | EPHX1 (0.58) | KDM4EEPHX1CNR1KMT2AMEN1 | |
| SCHEMBL6250660 | 0.79 | CNR1 (0.52) | KDM4EEPHX1CNR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |