Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.45 |
| ▸ | GAA | P10253 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 8/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28537107 | 0.78 | MAPT (0.49) | MAPTGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL28533381 | 0.78 | MAPT (0.57) | MAPTGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL28908620 | 0.76 | MAPT (0.62) | MAPTGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL31429940 | 0.75 | NOX1 (0.67) | MAPTGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL13875561 | 0.75 | NOX1 (0.61) | MAPTGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL1797414 | 0.73 | VCAM1 (0.38) | MAPTMEN1KMT2AHPGDKDM4E | |
| SCHEMBL1797415 | 0.73 | VCAM1 (0.38) | MAPTMEN1KMT2AHPGDKDM4E | |
| SCHEMBL28541967 | 0.72 | KMT2A (0.50) | MAPTGAAMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL27650174 | 0.72 | GRIN2D (0.38) | MAPTMEN1KMT2AHPGDKDM4E | |
| SCHEMBL1132727 | 0.72 | MEN1 (0.49) | MAPTGAAMEN1KMT2AALDH1A1 |
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-112480004-B | 5-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof | 华南理工大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-112480004-A | 5-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof | 华南理工大学 | 2021-03-12 | — | — | CN | disclosed |