Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4459962 | 1.00 | CYP1A2 (0.39) | CYP1A2TDP1TP53ACACBHSD17B10 | |
| SCHEMBL4464708 | 0.84 | SMN1; SMN2 (0.41) | ACACBKDM4EALDH1A1KMT2ACYP2C19 | |
| SCHEMBL13645813 | 0.72 | CYP1A2 (0.48) | CYP1A2TDP1TP53ACACBHSD17B10 | |
| SCHEMBL13409018 | 0.71 | SMN1; SMN2 (0.52) | CYP1A2TDP1TP53ACACBHSD17B10 | |
| SCHEMBL4459963 | 0.68 | ALDH1A1 (0.37) | CYP1A2TDP1ACACBHSD17B10KDM4E | |
| SCHEMBL13808541 | 0.67 | TP53 (0.43) | CYP1A2TDP1TP53HSD17B10KDM4E | |
| SCHEMBL19557946 | 0.67 | CYP1A2 (0.50) | CYP1A2TDP1TP53HSD17B10KDM4E | |
| SCHEMBL28491402 | 0.66 | PPID (0.46) | CYP1A2TDP1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL17378445 | 0.66 | CYP1A2 (0.41) | CYP1A2TDP1TP53ACACBHSD17B10 | |
| SCHEMBL13747805 | 0.65 | DPP4 (0.53) | NPC1CCR1DPP4DPP8DPP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | claimed |
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |