Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5027956 | 0.75 | EGFR (0.42) | THRBMAPTKMT2ATP53MAPK1 | |
| SCHEMBL27612697 | 0.70 | RHOA (0.58) | MEN1KMT2A | |
| SCHEMBL3226666 | 0.69 | SCN9A (0.54) | — | |
| Hydrochloric Acid SCHEMBL15488154 | 0.69 | NPC1 (0.45) | KDM4EKCNH3MAPTMEN1ALOX12 | |
| SCHEMBL6176833 | 0.68 | MAPK13 (0.59) | KDM4EMAPTLMNAMEN1KMT2A | |
| SCHEMBL1730117 | 0.68 | LMNA (0.68) | LMNAMEN1KMT2ACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL15487600 | 0.67 | AURKA (0.48) | NPSR1THRBKDM4EMAPTMEN1 | |
| SCHEMBL16238914 | 0.66 | TSHR (0.47) | KDM4EMEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL28757179 | 0.66 | ABL1 (0.52) | KDM4EMAPTLMNATSHRTP53 | |
| SCHEMBL7242067 | 0.65 | FFAR1 (0.54) | KDM4ELMNAMEN1KMT2ACYP1A2 |
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-101223447-A | Process for the identification of novel enzyme interacting compounds | CELLZOME AG (DE) | 2008-07-16 | — | — | CN | disclosed |