Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL322646 | 1.00 | KMO (0.60) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL17075525 | 0.98 | KMO (0.59) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL29889648 | 0.89 | KMO (0.51) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL5040368 | 0.89 | KMO (0.51) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL27858848 | 0.88 | ALDH1A1 (0.51) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL18412787 | 0.85 | ALDH1A1 (0.49) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL25666898 | 0.84 | MAPT (0.44) | KMOALDH1A1KDM4EMAPTSMN1; SMN2 | |
| Lithium Ion SCHEMBL17075524 | 0.84 | ALDH1A1 (0.49) | KMOPOLBPIK3CAALDH1A1HPGD | |
| SCHEMBL30855580 | 0.83 | MAPT (0.45) | KMOPOLBALDH1A1HPGDHSD17B10 | |
| SCHEMBL14658665 | 0.83 | MAPT (0.45) | KMOPOLBALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115181092-A | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-112279837-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-08-09 | — | — | CN | disclosed |