Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147053 | 0.83 | MEN1 (0.47) | MAPTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL28147086 | 0.81 | AR (0.41) | MAPTMEN1KMT2AALDH1A1ACHE | |
| SCHEMBL8138235 | 0.81 | AR (0.45) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL12583964 | 0.80 | ALDH1A1 (0.54) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL1973743 | 0.79 | MAPT (0.49) | MAPTACHELMNAMAPK1TDP1 | |
| SCHEMBL11800259 | 0.78 | MAOA (0.65) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL20220186 | 0.78 | MAPK1 (0.55) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL21882437 | 0.76 | MAPK1 (0.53) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL22414079 | 0.76 | MAPK1 (0.53) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL21887691 | 0.76 | MAPK1 (0.58) | MAPTMEN1KMT2AALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734678-A | A kind of s-triazine structure containing triaryl and the armaticity binary primary amine of ehter bond and preparation method thereof | 大连理工大学 | 2019-05-10 | — | — | CN | disclosed |