Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28080043 | 0.99 | KMT2A (0.44) | KMT2AGAAHTTLMNASMN1; SMN2 | |
| SCHEMBL447136 | 0.91 | CYP2C9 (0.48) | HTTCYP2C9HPGDCYP2C19TSHR | |
| Pyridine SCHEMBL28203189 | 0.87 | MTNR1A (0.45) | KMT2AGAAHTTLMNASMN1; SMN2 | |
| Pyridine SCHEMBL28203103 | 0.85 | MTNR1A (0.44) | KMT2AGAAHTTLMNASMN1; SMN2 | |
| SCHEMBL4024273 | 0.83 | TRPV1 (0.49) | LMNACYP2C9CYP2C19ROCK2 | |
| SCHEMBL599642 | 0.82 | CYP2C9 (0.43) | HTTCYP2C9HPGDCYP2C19TSHR | |
| SCHEMBL28455426 | 0.82 | HPRT1 (0.42) | HTTCYP2C9HPGDCYP2C19PPARG | |
| SCHEMBL10827609 | 0.81 | CYP2C9 (0.47) | KMT2AGAAHTTLMNACYP2C9 | |
| SCHEMBL5638282 | 0.79 | CYP2C9 (0.46) | GAAHTTCYP2C9HPGDCYP2C19 | |
| SCHEMBL29439167 | 0.78 | AKR1C3 (0.44) | KMT2AGAALMNASMN1; SMN2HPGD |
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-105777618-A | Naphthylacetic acid pyridine ethyl ester compounds and use thereof | 青岛科技大学 | 2016-07-20 | — | — | CN | claimed |
| CN-105777618-A | Naphthylacetic acid pyridine ethyl ester compounds and use thereof | 青岛科技大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-105777618-A | Naphthylacetic acid pyridine ethyl ester compounds and use thereof | 青岛科技大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-105777618-A | Naphthylacetic acid pyridine ethyl ester compounds and use thereof | 青岛科技大学 | 2016-07-20 | — | — | CN | disclosed |