Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | DDX3X | O00571 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6566823 | 0.74 | CNR2 (0.52) | CNR2CNR1NPC1MEN1ALDH1A1 | |
| SCHEMBL15859936 | 0.72 | KDM4E (0.67) | KDM4EMEN1ALDH1A1KMT2APOLB | |
| SCHEMBL16628039 | 0.72 | MAPK14 (0.71) | MAPK14KDRTRPV1NPC1RAB9A | |
| SCHEMBL6567266 | 0.71 | EPHX2 (0.61) | NPC1RAB9AMEN1KMT2AEPHX2 | |
| SCHEMBL4159971 | 0.71 | CTSB (0.51) | CNR2CNR1NPC1RAB9AKDM4E | |
| SCHEMBL29958947 | 0.71 | ABL1 (0.51) | MAPK14CNR2CNR1KDRALDH1A1 | |
| SCHEMBL25802425 | 0.71 | ABL1 (0.51) | MAPK14CNR2CNR1KDRALDH1A1 | |
| SCHEMBL18658207 | 0.70 | HIF1A (0.65) | KDRNPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL6565658 | 0.69 | TRPV1 (0.66) | KDRTRPV1NPC1RAB9AKDM4E | |
| SCHEMBL6567619 | 0.68 | KMT2A (0.65) | TRPV1NPC1RAB9AKDM4EMEN1 |
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 |