Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12449601 | 0.88 | SIGMAR1 (0.58) | MEN1KMT2ASIGMAR1POLBALDH1A1 | |
| SCHEMBL11596 | 0.86 | SIGMAR1 (0.45) | MEN1KMT2ASIGMAR1ALDH1A1GAA | |
| SCHEMBL14321356 | 0.85 | CD274 (0.45) | MEN1KMT2ASIGMAR1ALDH1A1GAA | |
| SCHEMBL201588 | 0.85 | SHBG (0.46) | MEN1CYP3A4TSHRKMT2ASIGMAR1 | |
| SCHEMBL201587 | 0.85 | SIGMAR1 (0.44) | MEN1KMT2ASIGMAR1ALDH1A1GAA | |
| SCHEMBL8351139 | 0.84 | HRH3 (0.47) | MEN1TSHRKMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL8353424 | 0.83 | SIGMAR1 (0.50) | MEN1CYP3A4TSHRCYP2C19KMT2A | |
| SCHEMBL12449799 | 0.80 | SIGMAR1 (0.40) | MEN1KMT2ASIGMAR1ALDH1A1GAA | |
| SCHEMBL14817898 | 0.76 | NAMPT (0.62) | MEN1CYP3A4TSHRCYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL11186064 | 0.76 | HPGD (0.54) | MEN1TSHRKMT2AMAPK1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |