Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SLC18A3 | Q16572 | 8/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | LIPE | Q05469 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13588778 | 0.80 | KCNH2 (0.64) | HRH3KCNH2LIPENAMPTSMN1; SMN2 | |
| SCHEMBL20005005 | 0.78 | HRH3 (0.48) | HRH3KCNH2SLC18A3DRD2LIPE | |
| SCHEMBL13588795 | 0.78 | HRH3 (0.61) | HRH3KCNH2LIPENAMPTSMN1; SMN2 | |
| SCHEMBL25447855 | 0.76 | KCNH2 (0.59) | HRH3KCNH2CYP2C9 | |
| SCHEMBL22537843 | 0.75 | HRH3 (0.55) | HRH3KCNH2SLC18A3LIPENAMPT | |
| SCHEMBL16886312 | 0.74 | RAB9A (0.58) | HRH3KCNH2NAMPTSMN1; SMN2TSHR | |
| SCHEMBL15045186 | 0.74 | KCNH2 (0.61) | HRH3KCNH2LIPENAMPTADAMTS5 | |
| SCHEMBL11123314 | 0.74 | KCNH2 (0.56) | HRH3KCNH2SLC18A3SMN1; SMN2SIGMAR1 | |
| SCHEMBL2661616 | 0.74 | KCNH2 (0.56) | HRH3KCNH2SLC18A3DRD2CYP2D6 | |
| SCHEMBL1473424 | 0.74 | QDPR (0.61) | HRH3KCNH2SLC18A3SMN1; SMN2BACE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020160321-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS | YALE UNIVERSITY (US) | 2020-08-06 | — | — | WO | disclosed |