Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.44 |
| ▸ | NPC1 | O15118 | 9/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ADK | P55263 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28154274 | 0.84 | RAB9A (0.50) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL30687002 | 0.84 | RAB9A (0.50) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL28154232 | 0.83 | NPC1 (0.49) | RAB9ANPC1MAPK1MAPTALDH1A1 | |
| SCHEMBL28467605 | 0.82 | RAB9A (0.47) | RAB9ANPC1MAPK1MAPTALDH1A1 | |
| SCHEMBL28772850 | 0.81 | NPC1 (0.46) | RAB9ANPC1MAPK1ADKMAPT | |
| SCHEMBL27110794 | 0.80 | KDM4E (0.50) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL17841036 | 0.79 | NPC1 (0.54) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL30287616 | 0.79 | NPC1 (0.54) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL28461094 | 0.79 | CASP3 (0.44) | RAB9ANPC1MAPTALDH1A1HPGD | |
| SCHEMBL1590727 | 0.77 | KCNH2 (0.50) | RAB9AMAPTALDH1A1HPGDHK1 |
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-106866563-B | Method for preparing 2, 4-disubstituted-1, 3,5 triazine derivative | 中国科学院大连化学物理研究所 | 2020-02-14 | — | — | CN | disclosed |
| CN-106866563-A | A kind of method for preparing the pyrrolotriazine derivatives of bis- substitutions of 2,4- -1,3,5 | 中国科学院大连化学物理研究所 | 2017-06-20 | — | — | CN | disclosed |