Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.58 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL40351 | 0.94 | CES2 (0.65) | ALDH1A1POLBNPSR1CES2NOTUM | |
| SCHEMBL31355711 | 0.94 | CES2 (0.65) | ALDH1A1POLBNPSR1CES2NOTUM | |
| Ethane SCHEMBL27386119 | 0.92 | CES2 (0.62) | ALDH1A1POLBNPSR1CES2NOTUM | |
| SCHEMBL27403082 | 0.86 | NPSR1 (0.56) | ALDH1A1POLBNPSR1CES2NOTUM | |
| SCHEMBL7465987 | 0.85 | NPSR1 (0.55) | ALDH1A1POLBNPSR1CES2NOTUM | |
| SCHEMBL7824610 | 0.84 | PDK2 (0.54) | NPSR1CES2NOTUMMRGPRX4 | |
| SCHEMBL31575815 | 0.84 | LMNA (0.60) | ALDH1A1POLBTAS1R3TAS1R1NPSR1 | |
| SCHEMBL20267329 | 0.84 | LMNA (0.60) | ALDH1A1POLBTAS1R3TAS1R1NPSR1 | |
| SCHEMBL30786693 | 0.84 | CES2 (0.61) | ALDH1A1POLBTAS1R3TAS1R1NPSR1 | |
| SCHEMBL1994068 | 0.84 | CES2 (0.61) | ALDH1A1POLBTAS1R3TAS1R1NPSR1 |
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-1064955-C | Fluorine-containing benzoylguanidines | MERCK PATENT GMBH (DE) | 2001-04-25 | — | — | CN | disclosed |
| CN-1143632-A | Fluorine-containing benzoylguanidines | MERCK PATENT GMBH (DE) | 1997-02-26 | — | — | CN | disclosed |