Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10094724 | 0.80 | HTT (0.66) | HTTKDM4EHSD17B10S1PR1ALDH1A1 | |
| SCHEMBL23996996 | 0.79 | S1PR1 (0.68) | HTTKDM4EHSD17B10S1PR1TSHR | |
| SCHEMBL29891228 | 0.78 | RAB9A (0.50) | HTTKDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL29186570 | 0.78 | RAB9A (0.50) | HTTKDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL430981 | 0.78 | SMN1; SMN2 (0.52) | HTTKDM4EHSD17B10S1PR1ALDH1A1 | |
| SCHEMBL10094731 | 0.77 | RAB9A (0.61) | HTTKDM4EHSD17B10S1PR1ALDH1A1 | |
| SCHEMBL29889817 | 0.77 | ACHE (0.52) | HSD17B10LMNAACHEBCHENPC1 | |
| SCHEMBL21938893 | 0.76 | ACHE (0.67) | HTTKDM4EHSD17B10S1PR1ALDH1A1 | |
| SCHEMBL21938900 | 0.75 | ACHE (0.49) | HTTKDM4EHSD17B10S1PR1TSHR | |
| SCHEMBL23997094 | 0.74 | ACHE (0.48) | HTTKDM4EHSD17B10S1PR1ALDH1A1 |
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-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |