Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 17/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CBR1 | P16152 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8424257 | 0.78 | ALDH1A1 (0.40) | MEN1LMNAKMT2AKDM4EALDH1A1 | |
| SCHEMBL6719963 | 0.78 | SIGMAR1 (0.45) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Hydrochloric Acid SCHEMBL7411638 | 0.78 | SIGMAR1 (0.44) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| SCHEMBL6154897 | 0.75 | SIGMAR1 (0.42) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Aptiganel SCHEMBL29742194 | 0.75 | SIGMAR1 (0.62) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Aptiganel SCHEMBL151144 | 0.75 | SIGMAR1 (0.62) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Aptiganel SCHEMBL7621534 | 0.74 | SIGMAR1 (0.58) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Aptiganel SCHEMBL871689 | 0.74 | SIGMAR1 (0.60) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| Aptiganel SCHEMBL29430152 | 0.74 | SIGMAR1 (0.60) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| SCHEMBL929374 | 0.72 | KDM4E (0.62) | MEN1LMNAMAPTKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0940139-B1 | Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers | SCION PHARMACEUTICALS INC (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-0940139-A2 | Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers | CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) | 1999-09-08 | — | — | EP | disclosed |