Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10922194 | 0.78 | HTT (0.76) | HTTNPSR1TDP1EPHX2ALDH1A1 | |
| SCHEMBL19798449 | 0.76 | KMT2A (0.72) | HTTEPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL4348906 | 0.75 | EPHX2 (0.73) | HTTNPSR1EPHX2MEN1KMT2A | |
| SCHEMBL19798759 | 0.74 | ALDH1A1 (0.68) | HTTEPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL8848470 | 0.71 | CNR2 (0.56) | HTTNPSR1EPHX2ALDH1A1KDM4E | |
| SCHEMBL13596196 | 0.70 | NPC1 (0.54) | EPHX2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL6567675 | 0.70 | P2RX7 (0.65) | NPSR1EPHX2MEN1KMT2APOLB | |
| SCHEMBL13596178 | 0.69 | ADRB2 (0.59) | EPHX2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL4346873 | 0.69 | EPHX2 (0.57) | NPSR1EPHX2MAPT | |
| SCHEMBL9334741 | 0.69 | TSHR (0.61) | HTTEPHX2ALDH1A1MEN1KMT2A |
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 |