Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | PMM2 | O15305 | 1/20 | 0.40 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.40 |
| ▸ | CYBB | P04839 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL28496791 | 1.00 | MAPK1 (0.50) | MAPK1NOTUMNPEPPSPIM1PGR | |
| SCHEMBL29870549 | 0.85 | NOTUM (0.43) | MAPK1NOTUMALDH1A1TP53LMNA | |
| SCHEMBL28496723 | 0.85 | NOTUM (0.43) | MAPK1NOTUMALDH1A1TP53LMNA | |
| SCHEMBL28508032 | 0.82 | NOTUM (0.52) | MAPK1NOTUMPGRALDH1A1TP53 | |
| SCHEMBL17936604 | 0.81 | MAPK1 (0.47) | MAPK1PIM1PGRALDH1A1TP53 | |
| SCHEMBL17936606 | 0.81 | MAPK1 (0.47) | MAPK1PIM1PGRALDH1A1TP53 | |
| SCHEMBL28509733 | 0.78 | NOTUM (0.48) | NOTUMALDH1A1LMNAKDM4EMEN1 | |
| SCHEMBL28202823 | 0.76 | ALDH1A1 (0.50) | MAPK1NOTUMALDH1A1TP53KDM4E | |
| SCHEMBL28369700 | 0.75 | NOTUM (0.50) | MAPK1NOTUMALDH1A1TP53LMNA | |
| SCHEMBL28866367 | 0.75 | MAPK1 (0.55) | MAPK1PIM1PGRALDH1A1TP53 |
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-112209876-B | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 华侨大学 | 2022-08-26 | — | — | CN | disclosed |