Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6998299 | 0.78 | GAA (0.45) | KMT2AMEN1GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL14809989 | 0.77 | NOTUM (0.49) | NOTUMKMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL18779900 | 0.74 | SMN1; SMN2 (0.55) | NOTUMKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14809436 | 0.72 | KDM4E (0.52) | NOTUMKMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL27970803 | 0.71 | ALDH1A1 (0.51) | NOTUMKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14809258 | 0.70 | POLB (0.40) | NOTUMKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3941669 | 0.69 | KDM4E (0.51) | KMT2AMEN1SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL6085966 | 0.68 | KCNQ3 (0.55) | NPC1LMNANPSR1MAPT | |
| SCHEMBL9356553 | 0.67 | ALDH1A1 (0.50) | KMT2AMEN1GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL10618154 | 0.67 | PTGS1 (0.68) | LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-103864661-A | Synthesis process of 2-amino-3-cyano pyrrole derivatives | Hunan huateng pharmaceutical co ltd | 2014-06-18 | — | — | CN | disclosed |