Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.70 |
| ▸ | CCR3 | P51677 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL10438853 | 0.95 | SIGMAR1 (0.69) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL9906601 | 0.91 | SIGMAR1 (0.61) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL18922663 | 0.90 | SIGMAR1 (0.61) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL4255190 | 0.89 | ACHE (0.69) | SIGMAR1CCR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4688942 | 0.85 | SPHK1 (0.61) | SIGMAR1SPHK1 | |
| SCHEMBL10522891 | 0.84 | SIGMAR1 (0.72) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL3958257 | 0.84 | HRH3 (0.58) | SIGMAR1CCR3MEN1TP53CYP1A2 | |
| SCHEMBL7550067 | 0.83 | SPHK1 (0.60) | CYP1A2CYP3A4CYP2D6HTR2ASPHK1 | |
| SCHEMBL15650736 | 0.83 | SIGMAR1 (0.60) | SIGMAR1HTR2ASPHK1 | |
| SCHEMBL3452363 | 0.83 | SPHK1 (0.60) | SIGMAR1CCR3MEN1TP53CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |
| WO-2000076511-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| US-4886813-A | INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1989-12-12 | — | — | US | disclosed |