Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4344400 | 0.90 | KDM4E (0.47) | KDM4ENPSR1ALDH1A1MAPTTP53 | |
| SCHEMBL4344397 | 0.87 | CTSD (0.44) | KDM4ENPSR1ALDH1A1MAPTTP53 | |
| SCHEMBL6566878 | 0.85 | MAPT (0.53) | KDM4EMAPTTP53MEN1KMT2A | |
| SCHEMBL4344405 | 0.83 | KDM4E (0.45) | KDM4ENPSR1ALDH1A1MAPTTP53 | |
| SCHEMBL6526530 | 0.83 | MAPT (0.51) | KDM4EALDH1A1MAPTTP53LMNA | |
| SCHEMBL4505884 | 0.82 | TP53 (0.52) | KDM4EALDH1A1MAPTTP53LMNA | |
| SCHEMBL6524162 | 0.81 | NAMPT (0.57) | KDM4ENPSR1ALDH1A1MAPTTP53 | |
| SCHEMBL4347962 | 0.81 | MAPT (0.48) | KDM4EALDH1A1MAPTTP53LMNA | |
| SCHEMBL6519124 | 0.80 | MAPT (0.47) | KDM4ETRPV1MAPTTP53LMNA | |
| SCHEMBL6565522 | 0.78 | RAB9A (0.56) | KDM4EALDH1A1TSHRMAPTTP53 |
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 |