Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | DDX3X | O00571 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29989323 | 0.83 | BTK (0.46) | NPSR1PBRM1DDX3XALDH1A1BCL2A1 | |
| SCHEMBL15974825 | 0.83 | BTK (0.46) | NPSR1PBRM1DDX3XALDH1A1BCL2A1 | |
| SCHEMBL17591554 | 0.77 | AKT1 (0.52) | NPSR1AKT1ALDH1A1TDP1TSHR | |
| SCHEMBL7919787 | 0.76 | CRHBP (0.51) | NPSR1CYP3A4CASP1RECQLPBRM1 | |
| SCHEMBL10946709 | 0.74 | ALDH1A1 (0.42) | NPSR1CYP3A4CASP1RECQLPBRM1 | |
| SCHEMBL18311494 | 0.74 | BCL2A1 (0.38) | DDX3XALDH1A1BCL2A1MAPTMAPK1 | |
| SCHEMBL10963216 | 0.71 | PBRM1 (0.55) | NPSR1CYP3A4CASP1RECQLPBRM1 | |
| SCHEMBL8743232 | 0.70 | AKT1 (0.45) | NPSR1AKT1CYP3A4RECQLALDH1A1 | |
| SCHEMBL8743210 | 0.69 | AKT1 (0.48) | NPSR1AKT1ALDH1A1TDP1TSHR | |
| SCHEMBL28264169 | 0.69 | CYP3A4 (0.44) | NPSR1CYP3A4CASP1RECQLPBRM1 |
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-4533727-A | CYCLIEIED CYANATE TRIMER AS PREPOLYMER UNIT | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1985-08-06 | — | — | US | disclosed |