Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 9/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | GHSR | Q92847 | 4/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866867 | 0.95 | S1PR1 (0.63) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL8869280 | 0.89 | MEN1 (0.59) | S1PR1EPHX1ALDH1A1LMNAMAPT | |
| SCHEMBL18862116 | 0.88 | S1PR1 (0.65) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL17841795 | 0.87 | EPHX1 (0.70) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL11034317 | 0.86 | EPHX1 (0.84) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL11033138 | 0.86 | EPHX1 (0.84) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL6438783 | 0.86 | EPHX1 (0.84) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL7473500 | 0.86 | S1PR1 (0.66) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL822126 | 0.85 | EPHX1 (0.72) | S1PR1EPHX1ALDH1A1HTTLMNA | |
| SCHEMBL17189466 | 0.85 | EPHX1 (0.72) | S1PR1EPHX1ALDH1A1HTTLMNA |
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 |