Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.61 |
| ▸ | NOS1 | P29475 | 1/20 | 0.61 |
| ▸ | NOS2 | P35228 | 1/20 | 0.61 |
| ▸ | PI4KA | P42356 | 1/20 | 0.61 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.61 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.61 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| 2-Aminopyridine SCHEMBL28064312 | 0.88 | NOS3 (0.73) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL5289614 | 0.88 | NOS3 (0.73) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL27965295 | 0.84 | NOS3 (0.67) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL20877282 | 0.84 | NOS3 (0.67) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL29593240 | 0.84 | NOS3 (0.67) | NOS3NOS1NOS2PI4KAPI4K2B | |
| Dipyridyl SCHEMBL7209625 | 0.80 | KDM4E (0.58) | KDM4ELMNATDP1SMN1; SMN2ALDH1A1 | |
| 2-Aminopyridine SCHEMBL8517380 | 0.79 | NOS3 (0.73) | NOS3NOS1NOS2PI4KAPI4K2B | |
| Trifluoromethanesulfonic Acid SCHEMBL29772678 | 0.79 | NOS3 (0.59) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL28885375 | 0.79 | — | — | |
| 2-Aminopyridine SCHEMBL28035454 | 0.79 | — | — |
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-105669668-B | Pyrido indazole or benzo pyrido indazole derivative and its synthetic method | 上海大学 | 2018-03-06 | — | — | CN | claimed |
| CN-105669668-A | Pyridoindazole or benzopyridoindazole derivatives and synthesis method thereof | 上海大学 | 2016-06-15 | — | — | CN | claimed |
| CN-105669668-B | Pyrido indazole or benzo pyrido indazole derivative and its synthetic method | 上海大学 | 2018-03-06 | — | — | CN | disclosed |
| CN-105669668-A | Pyridoindazole or benzopyridoindazole derivatives and synthesis method thereof | 上海大学 | 2016-06-15 | — | — | CN | disclosed |