Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 9/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10985508 | 0.73 | MAPT (0.58) | CES1METAP1HTR2CHTR2BHTR2A | |
| SCHEMBL6978728 | 0.72 | CREBBP (0.63) | BRD4CREBBPHTR2B | |
| SCHEMBL30417761 | 0.72 | CREBBP (0.63) | BRD4CREBBPHTR2B | |
| SCHEMBL31193465 | 0.70 | AR (0.43) | BRD4CREBBPARHTR2CHTR2B | |
| SCHEMBL1735446 | 0.70 | AR (0.43) | BRD4CREBBPARHTR2CHTR2B | |
| SCHEMBL1735450 | 0.70 | AR (0.43) | BRD4CREBBPARHTR2CHTR2B | |
| SCHEMBL31193443 | 0.70 | AR (0.43) | BRD4CREBBPARHTR2CHTR2B | |
| SCHEMBL1735444 | 0.69 | AR (0.40) | ARHTR2CHTR2BHTR2AALDH1A1 | |
| SCHEMBL8996574 | 0.66 | POLB (0.40) | ARHTR2CHTR2BHTR2AALDH1A1 | |
| SCHEMBL8996534 | 0.66 | POLB (0.40) | ARHTR2CHTR2BHTR2AALDH1A1 |
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-2007728-B1 | A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES | MITSUBISHI TANABE PHARMA CORP (JP) | 2011-11-16 | — | — | EP | claimed |
| WO-2011131370-A1 | MELT-GRANULATED FINGOLIMOD | RATIOPHARM GMBH (DE) | 2011-10-27 | — | — | WO | claimed |