Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8710952 | 0.89 | ESR1 (0.60) | ESR1KMT2ATSHRKEAP1NFE2L2 | |
| SCHEMBL8714947 | 0.89 | ESR1 (0.63) | ESR1KMT2ATSHRMAPK1HSD17B10 | |
| SCHEMBL10300192 | 0.79 | ESR1 (0.49) | ESR1KMT2ASMN1; SMN2HPGDLMNA | |
| SCHEMBL18101489 | 0.77 | SMN1; SMN2 (0.70) | TSHRSMN1; SMN2HPGDLMNA | |
| SCHEMBL9226646 | 0.75 | HTR7 (0.59) | — | |
| SCHEMBL9231944 | 0.74 | CYP2D6 (0.54) | KMT2AHSD17B10LMNA | |
| Oxalic Acid SCHEMBL9232306 | 0.74 | HTR7 (0.57) | KMT2ATSHR | |
| SCHEMBL9230581 | 0.72 | HTR7 (0.66) | — | |
| SCHEMBL1629150 | 0.72 | KEAP1 (0.77) | KEAP1NFE2L2 | |
| Sulfuric Acid SCHEMBL7684214 | 0.71 | ESR1 (0.48) | ESR1KMT2AHSD17B10SMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |