Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL971337 | 0.80 | CYP2D6 (0.70) | ALDH1A1CYP2D6TSHROPRM1OPRK1 | |
| SCHEMBL3210066 | 0.79 | CYP2D6 (0.76) | ALDH1A1CYP2D6TSHROPRM1OPRK1 | |
| SCHEMBL3932598 | 0.78 | CYP2D6 (0.67) | ALDH1A1CYP2D6TSHROPRM1OPRK1 | |
| SCHEMBL3934933 | 0.77 | CYP2D6 (1.00) | ALDH1A1CYP2D6TSHROPRM1OPRK1 | |
| SCHEMBL2996293 | 0.76 | CYP2D6 (0.68) | ALDH1A1CYP2D6TSHROPRM1OPRK1 | |
| SCHEMBL8894220 | 0.76 | CTSS (0.52) | CYP2D6TSHRCACNA1GCXCR4GAA | |
| SCHEMBL654357 | 0.72 | ALDH1A1 (0.62) | ALDH1A1CYP2D6TSHRCACNA1GOPRM1 | |
| SCHEMBL23647380 | 0.72 | TSHR (0.58) | ALDH1A1CYP2D6TSHRGAAOPRL1 | |
| SCHEMBL8892927 | 0.72 | TSHR (0.55) | ALDH1A1CYP2D6TSHRHRH3OPRM1 | |
| SCHEMBL17140513 | 0.72 | OPRM1 (0.53) | CXCR4OPRM1OPRL1 |
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-5610142-A | Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids | SCIOS INC. (US) | 1997-03-11 | — | — | US | disclosed |