Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4909471 | 0.83 | MIF (0.60) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| SCHEMBL132994 | 0.78 | — | — | |
| Carbimide SCHEMBL28053096 | 0.76 | MIF (0.52) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| Fluoride SCHEMBL28188685 | 0.76 | MIF (0.52) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| Ethylene SCHEMBL15090386 | 0.74 | MIF (0.50) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| SCHEMBL10863572 | 0.74 | MIF (0.50) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| SCHEMBL21398528 | 0.74 | MIF (0.50) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| SCHEMBL28583699 | 0.72 | CYP3A4 (0.48) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| SCHEMBL28893803 | 0.72 | CYP3A4 (0.48) | MIFALDH1A1HTR3ESLC22A2SLC22A1 | |
| Phenylisothiocyanate SCHEMBL3484791 | 0.72 | MIF (0.85) | MIFALDH1A1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2149561-B1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC (US) | 2015-09-09 | — | — | EP | disclosed |