Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3248057 | 0.80 | ALDH1A1 (0.52) | KDM4ETDP1CYP3A4ALOX12KMT2A | |
| Acetic Acid SCHEMBL28089005 | 0.75 | ALDH1A1 (0.40) | KMT2AALDH1A1HPGDHSD17B10 | |
| SCHEMBL15668691 | 0.75 | ALDH1A1 (0.61) | KDM4EKMT2AALDH1A1 | |
| SCHEMBL3261252 | 0.74 | PTGS2 (0.42) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL12210716 | 0.73 | KDM4E (0.51) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL10431246 | 0.71 | PKM (0.42) | KDM4ETDP1KMT2AALDH1A1HPGD | |
| SCHEMBL19805594 | 0.70 | KDM4E (0.51) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL13458380 | 0.70 | KDM4E (0.51) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL10881331 | 0.70 | KDM4E (0.51) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL1687118 | 0.69 | KDM4E (0.48) | KDM4ETDP1CYP3A4ALOX12PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103608332-B | Pyridine-2-amides useful as CB2 agonists | 霍夫曼-拉罗奇有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-104854092-A | PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE | 2015-08-19 | — | — | CN | disclosed |
| CN-104837831-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |