Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PARG | Q86W56 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL10941753 | 0.80 | TP53 (0.48) | TP53MAPTALDH1A1LMNAHTT | |
| SCHEMBL6544699 | 0.78 | TP53 (0.56) | TP53MAPTALDH1A1LMNAHTT | |
| SCHEMBL28651007 | 0.77 | TP53 (0.54) | TP53MAPTALDH1A1LMNAHTT | |
| SCHEMBL11077621 | 0.75 | KMT2A (0.57) | MAPTALDH1A1LMNAHTTKMT2A | |
| SCHEMBL2536096 | 0.74 | PSIP1 (0.56) | ALDH1A1KMT2ATSHRSMN1; SMN2CA1 | |
| SCHEMBL16591739 | 0.73 | ALDH1A1 (0.52) | TP53MAPTALDH1A1LMNAHTT | |
| SCHEMBL28257941 | 0.73 | CA2 (0.38) | MAPTALDH1A1LMNAHTTHPGD | |
| SCHEMBL16583088 | 0.71 | TP53 (0.49) | TP53MAPTALDH1A1LMNAHTT | |
| Dapansutrile SCHEMBL11291946 | 0.71 | NLRP3 (0.59) | TP53MAPTALDH1A1LMNAHTT | |
| SCHEMBL1885866 | 0.71 | ALDH1A1 (0.45) | TP53MAPTALDH1A1HTTNLRP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105636935-B | The pharmaceutical use of 3 benzyl sulfonyl propionitrile | 欧拉泰克治疗有限责任公司 | 2018-04-03 | — | — | CN | claimed |
| CN-105636935-A | Pharmaceutical use of 3-benzylsulfonylpropionitrile | OLATEC IND LLC | 2016-06-01 | — | — | CN | claimed |
| CN-105636935-B | The pharmaceutical use of 3 benzyl sulfonyl propionitrile | 欧拉泰克治疗有限责任公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-105636935-A | Pharmaceutical use of 3-benzylsulfonylpropionitrile | OLATEC IND LLC | 2016-06-01 | — | — | CN | disclosed |