Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11738746 | 0.78 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1 | |
| Bromide SCHEMBL11733211 | 0.77 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1 | |
| SCHEMBL11739762 | 0.72 | SIGMAR1 (0.37) | RAB9ANPC1SIGMAR1ALDH1A1HTR1A | |
| SCHEMBL11843293 | 0.70 | SIGMAR1 (0.44) | SIGMAR1MAOAMAOB | |
| SCHEMBL14529908 | 0.67 | SIGMAR1 (0.48) | RAB9ANPC1KMT2AMEN1SIGMAR1 | |
| SCHEMBL11742682 | 0.65 | HTR2A (0.38) | SIGMAR1ALDH1A1DRD2 | |
| SCHEMBL2214037 | 0.65 | CYP3A4 (0.47) | MAPTKMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL11684159 | 0.63 | SIGMAR1 (0.44) | MAPTKMT2AMEN1SIGMAR1KDM4E | |
| SCHEMBL11730218 | 0.63 | CYP2D6 (0.42) | SIGMAR1CYP3A4 | |
| SCHEMBL11853705 | 0.62 | SIGMAR1 (0.49) | SIGMAR1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4031224-A | 1,3-Dihydro-heteroarylspiro (isobenzofuran)s | AMERICAN HOECHST CORPORATION (US) | 1977-06-21 | — | — | US | disclosed |